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CHEBI:145979 - 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile

ChEBI IDCHEBI:145979
ChEBI Name4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile
Stars
DefinitionA secondary amino compound that is 4-(2-aminoethyl)-2,5-dimethoxybenzonitrile in which one of the hydrogens of the amino group has been replaced by a 2-hydroxybenzyl group. A 5-hydroxytryptamine 2A receptor agonist.
Last Modified3 February 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H20N2O3
Net Charge0
Average Mass312.369
Monoisotopic Mass312.14739
SMILESCOc1cc(CCNCc2ccccc2O)c(OC)cc1C#N
InChIInChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3
InChIKeyVWEDZTZAXHMZIL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
5-hydroxytryptamine 2A receptor agonist  An agonist at the 5-hydroxytryptamine 2A (5-HT2A) receptor.
Application:
hallucinogen  Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.
ChEBI Ontology
Outgoing Relation(s)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) has role 5-hydroxytryptamine 2A receptor agonist (CHEBI:145982)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) has role hallucinogen (CHEBI:35499)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) is a aromatic ether (CHEBI:35618)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) is a nitrile (CHEBI:18379)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) is a phenols (CHEBI:33853)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) is a secondary amino compound (CHEBI:50995)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979) is conjugate base of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983)
Incoming Relation(s)
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+) (CHEBI:145983) is conjugate acid of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile (CHEBI:145979)
IUPAC Name 
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile
Synonyms  Source
4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrileIUPAC
25CN-NBOHChEBI
2-([2-(4-cyano-2,5-dimethoxyphenyl)ethylamino]methyl)phenolChEBI
NBOH-2C-CNChEBI
Manual XrefsDatabases
25CN-NBOHWikipedia
Citations