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F5U

Summary
Name:2-(5-methoxy-1H-indol-3-yl)ethanamine
Synonyms:5-Methoxytryptamine
Formula:C11 H14 N2 O
Formal charge:0
Formula weight:190.242 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(5-methoxy-1~{H}-indol-3-yl)ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyInChI1.03JTEJPPKMYBDEMY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2[nH]cc(CCN)c2c1
SMILESCACTVS3.385COc1ccc2[nH]cc(CCN)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2c(c1)c(c[nH]2)CCN
SMILESOpenEye OEToolkits2.0.7COc1ccc2c(c1)c(c[nH]2)CCN

217705

PDB entries from 2024-03-27

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