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

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ChEBI Name	4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile

ChEBI ID	CHEBI:145979

Definition	A 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amino compound that is 4-(2-aminoethyl)-2,5-dimethoxybenzonitrile in which one of the hydrogens of the amino group has been replaced by a 2-hydroxybenzyl group.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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C18H20N2O3

Net Charge

Average Mass

312.369

Monoisotopic Mass

312.14739

InChI

InChI=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

InChIKey

VWEDZTZAXHMZIL-UHFFFAOYSA-N

SMILES

O(C=1C(CCNCC=2C(O)=CC=CC2)=CC(OC)=C(C1)C#N)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	5-hydroxytryptamine 2A receptor agonist An agonist at the 5-hydroxytryptamine 2A (5-HT2A) receptor.

Application(s):	hallucinogen Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.

ChEBI Ontology
Outgoing	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	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	Sources
2-([2-(4-cyano-2,5-dimethoxyphenyl)ethylamino]methyl)phenol	ChEBI
25CN-NBOH	ChEBI
4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrile	IUPAC
NBOH-2C-CN	ChEBI

Last Modified

03 February 2020