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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-06-18 18:49:47 UTC
Update Date2023-02-21 17:30:09 UTC
HMDB IDHMDB0060681
Secondary Accession Numbers
  • HMDB60681
Metabolite Identification
Common Name4-Hydroxy-2,6-dimethylaniline
Description4-Hydroxy-2,6-dimethylaniline, also known as 3,5-dimethyl-4-aminophenol or 4-amino-3,5-dimethylphenol, belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively. Lidocaine is used topically to relieve itching, burning and pain from skin inflammations, injected as a dental anesthetic or as a local anesthetic for minor surgery. 4-Hydroxy-2,6-dimethylaniline is a very strong basic compound (based on its pKa). 4-Hydroxy-2,6-dimethylaniline is a metabolite of lidocaine. In humans, 4-hydroxy-2,6-dimethylaniline is involved in lidocaine (local anaesthetic) metabolism pathway. Lidocaine, Xylocaine, or lignocaine is a common local anesthetic and antiarrhythmic drug.
Structure
Data?1677000609
Synonyms
ValueSource
1,3-Dimethyl-2-amino-5-xylenolChEBI
3,5-Dimethyl-4-aminophenolChEBI
4-Amino-3,5-dimethylphenolChEBI
4-Amino-3,5-xylenolChEBI
Chemical FormulaC8H11NO
Average Molecular Weight137.179
Monoisotopic Molecular Weight137.084063979
IUPAC Name4-amino-3,5-dimethylphenol
Traditional Name4-hydroxy-2,6-dimethylaniline
CAS Registry NumberNot Available
SMILES
CC1=CC(O)=CC(C)=C1N
InChI Identifier
InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3
InChI KeyGCWYXRHXGLFVFE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassCresols
Direct ParentMeta cresols
Alternative Parents
Substituents
  • Aminophenol
  • M-cresol
  • Aniline or substituted anilines
  • Xylene
  • M-xylene
  • P-aminophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC16570
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound76543
PDB IDNot Available
ChEBI ID55545
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available