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Summary

Name:2-(1H-indol-3-yl)-N-methylethanamine
Formula:C11 H14 N2
Formal charge:0
Molecular weight:174.242 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(1H-indol-3-yl)-N-methylethanamine
OpenEye OEToolkits1.7.62-(1H-indol-3-yl)-N-methyl-ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc2c1c(cn2)CCNC
InChIInChI1.03InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
InChIKeyInChI1.03NCIKQJBVUNUXLW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CNCCc1c[nH]c2ccccc12
SMILESCACTVS3.370CNCCc1c[nH]c2ccccc12
SMILES_CANONICALOpenEye OEToolkits1.7.6CNCCc1c[nH]c2c1cccc2
SMILESOpenEye OEToolkits1.7.6CNCCc1c[nH]c2c1cccc2
169117
PDB entries from 2020-09-23