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A1JKA

Summary
Name:3-(1~{H}-indol-3-yl)-~{N}-methyl-~{N}-(2-phenylethyl)propan-1-amine
Formula:C20 H24 N2
Formal charge:0
Formula weight:292.418 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(1~{H}-indol-3-yl)-~{N}-methyl-~{N}-(2-phenylethyl)propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H24N2/c1-22(15-13-17-8-3-2-4-9-17)14-7-10-18-16-21-20-12-6-5-11-19(18)20/h2-6,8-9,11-12,16,21H,7,10,13-15H2,1H3
InChIKeyInChI1.06OTYGOZDPVPXIQL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CCCc1c[nH]c2ccccc12)CCc3ccccc3
SMILESCACTVS3.385CN(CCCc1c[nH]c2ccccc12)CCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(CCCc1c[nH]c2c1cccc2)CCc3ccccc3
SMILESOpenEye OEToolkits2.0.7CN(CCCc1c[nH]c2c1cccc2)CCc3ccccc3

258009

PDB entries from 2026-08-12

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