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F66

Summary
Name:2-(2-methyl-1H-indol-3-yl)ethanamine
Synonyms:2-Methyltryptamine
Formula:C11 H14 N2
Formal charge:0
Formula weight:174.242 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(2-methyl-1~{H}-indol-3-yl)ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKeyInChI1.03CPVSLHQIPGTMLH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1[nH]c2ccccc2c1CCN
SMILESCACTVS3.385Cc1[nH]c2ccccc2c1CCN
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c2ccccc2[nH]1)CCN
SMILESOpenEye OEToolkits2.0.7Cc1c(c2ccccc2[nH]1)CCN

218853

PDB entries from 2024-04-24

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