3C5

Summary
Name:N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
Formula:C13 H14 N2
Formal charge:0
Formula weight:198.264 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
OpenEye OEToolkits1.9.2N-methyl-1-(3-pyridin-3-ylphenyl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2cccc(c1cc(ccc1)CNC)c2
InChIInChI1.03InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
InChIKeyInChI1.03LZJRRTLTBULOHU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCc1cccc(c1)c2cccnc2
SMILESCACTVS3.385CNCc1cccc(c1)c2cccnc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CNCc1cccc(c1)c2cccnc2
SMILESOpenEye OEToolkits1.9.2CNCc1cccc(c1)c2cccnc2

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PDB entries from 2021-06-16