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Summary

Name:2-(5-methyl-1~{H}-indol-3-yl)ethanamine
Formula:C11 H14 N2
Formal charge:0
Molecular weight:174.242 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-(5-methyl-1~{H}-indol-3-yl)ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyInChI1.03PYOUAIQXJALPKW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2[nH]cc(CCN)c2c1
SMILESCACTVS3.385Cc1ccc2[nH]cc(CCN)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc2c(c1)c(c[nH]2)CCN
SMILESOpenEye OEToolkits2.0.6Cc1ccc2c(c1)c(c[nH]2)CCN
167327
PDB entries from 2020-08-05