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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:48:32 UTC
Update Date2019-07-23 06:35:15 UTC
HMDB IDHMDB0041930
Secondary Accession Numbers
  • HMDB41930
Metabolite Identification
Common NameMethoxyphenamine
DescriptionMethoxyphenamine, also known as metoxifenamina or OMMA, belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. Methoxyphenamine is a very strong basic compound (based on its pKa).
Structure
Data?1563863715
Synonyms
ValueSource
2-MethoxymethamphetamineChEBI
MethoxiphenadrinChEBI
MethoxyphenaminChEBI
MethoxyphenaminumChEBI
MetoxifenaminaChEBI
OMMAChEBI
1-(O-Methoxyphenyl)-2-methylaminopropaneHMDB
2-Methoxy-N,alpha-dimethyl-benzeneethanamineHMDB
2-Methoxy-N,alpha-dimethylbenzeneethanamineHMDB
2-Methoxy-N,alpha-dimethylphenethylamineHMDB
2-Methoxy-N-methylamphetamineHMDB
alpha-(2-Methoxyphenyl)-beta-methylaminopropaneHMDB
beta-(O-Methoxyphenyl)isopropylmethylamineHMDB
Methamphetamine, 2-methoxyHMDB
MethoxyphenadrineHMDB
Methoxyphenamine hydrochlorideHMDB
O-Methoxy-N,alpha-dimethyl-phenethylamineHMDB
OrthoxineHMDB
OrtodrinexHMDB
OrtoxineHMDB
Methoxyphenamine, (S)-isomerHMDB
1-(2-Methoxyphenyl)-2-methylaminopropaneHMDB
Methoxyphenamine hydrochloride, (R)-isomerHMDB
Methoxyphenamine hydrochloride, (+-)-isomerHMDB
MimexinaHMDB
Chemical FormulaC11H17NO
Average Molecular Weight179.2588
Monoisotopic Molecular Weight179.131014171
IUPAC Name[1-(2-methoxyphenyl)propan-2-yl](methyl)amine
Traditional Namemethoxyphenamine
CAS Registry Number93-30-1
SMILES
CNC(C)CC1=CC=CC=C1OC
InChI Identifier
InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
InChI KeyOEHAYUOVELTAPG-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenethylamines
Direct ParentAmphetamines and derivatives
Alternative Parents
Substituents
  • Amphetamine or derivatives
  • Phenylpropane
  • Anisole
  • Phenol ether
  • Phenoxy compound
  • Methoxybenzene
  • Aralkylamine
  • Alkyl aryl ether
  • Secondary amine
  • Ether
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location:

Role

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point< 25 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.78 g/LALOGPS
logP2.13ALOGPS
logP2.08ChemAxon
logS-2.4ALOGPS
pKa (Strongest Basic)10.04ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area21.26 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity54.94 m³·mol⁻¹ChemAxon
Polarizability20.79 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9200000000-d79e651be7bca6f4ff90Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0900000000-cea6fc2a6ec4f62450e8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001j-3900000000-f64e7b7dadb7eca752c6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0avl-9500000000-99f9b3b85d6fcd1ee9a4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-c973e322dec46e988c09Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-20b78d19346244f16a32Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-053r-4900000000-3348760ffb67196c1f83Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13624
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID3974
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMethoxyphenamine
METLIN IDNot Available
PubChem Compound4117
PDB IDNot Available
ChEBI ID134817
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB ID
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available