Molecule ID: 90489019

IUPAC Name: 4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrile;hydrochloride

Description: The molecule is a hydrochloride resulting from the reaction of equimolar amounts of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile and hydrogen chloride. It has a role as a 5-hydroxytryptamine 2A receptor agonist. It contains a 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+).

SMILES: COc1cc(CCNCc2ccccc2O)c(OC)cc1C#N.Cl

SELFIES: [C][O][C][=C][C][Branch1][=C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][C][#N].[Cl]

InChI: InChI=1S/C18H20N2O3.ClH/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;1H

Molecular Properties:
- Polar Surface Area: 74.5 Ų
- LogP: nan