CHEBI:136995 - 3,4-dimethoxyphenylethylamine

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ChEBI Name 3,4-dimethoxyphenylethylamine
ChEBI ID CHEBI:136995
Definition An aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H15NO2
Net Charge 0
Average Mass 181.23160
Monoisotopic Mass 181.110
InChI InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKey ANOUKFYBOAKOIR-UHFFFAOYSA-N
SMILES COc1ccc(CCN)cc1OC
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 3,4-dimethoxyphenylethylamine (CHEBI:136995) has parent hydride 2-phenylethylamine (CHEBI:18397)
3,4-dimethoxyphenylethylamine (CHEBI:136995) has role plant metabolite (CHEBI:76924)
3,4-dimethoxyphenylethylamine (CHEBI:136995) is a alkaloid (CHEBI:22315)
3,4-dimethoxyphenylethylamine (CHEBI:136995) is a aromatic ether (CHEBI:35618)
3,4-dimethoxyphenylethylamine (CHEBI:136995) is a phenylethylamine (CHEBI:50048)
IUPAC Name
2-(3,4-dimethoxyphenyl)ethanamine
Synonyms Sources
2-(3,4-Dimethoxy-phenyl)-ethylamine ChEMBL
3,4-Di-O-methyldopamine ChemIDplus
3,4-Dimethoxy-beta-phenylethylamine ChemIDplus
3,4-Dimethoxybenzeneethanamine ChemIDplus
3,4-Dimethoxydopamine ChemIDplus
3,4-Dimethoxyphenethylamine ChemIDplus
beta-(3,4-Dimethyoxyphenyl)ethylamine ChemIDplus
Dimethoxydopamine ChemIDplus
Dimethoxyphenylethylamine ChemIDplus
Dimethylmescaline ChemIDplus
DIMPEA ChemIDplus
DMPEA ChemIDplus
Dopamine dimethyl ether ChemIDplus
Homoveratrylamine ChemIDplus
O,O-Dimethyldopamine ChemIDplus
Database Links Databases
3,4-dimethoxyphenethylamine Wikipedia
HMDB41806 HMDB
LSM-5691 LINCS
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Registry Numbers Types Sources
120-20-7 CAS Registry Number NIST Chemistry WebBook
120-20-7 CAS Registry Number ChemIDplus
432812 Gmelin Registry Number Gmelin
474393 Beilstein Registry Number Beilstein
474393 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1221818 PubMed citation Europe PMC
21504819 PubMed citation Europe PMC
3377143 PubMed citation Europe PMC
5812246 PubMed citation Europe PMC
7059639 PubMed citation Europe PMC
8911701 PubMed citation Europe PMC
Last Modified
25 February 2016