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3IP

Summary
Name:3-(BENZYLOXY)PYRIDIN-2-AMINE
Formula:C12 H12 N2 O
Formal charge:0
Formula weight:200.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(benzyloxy)pyridin-2-amine
OpenEye OEToolkits1.5.03-phenylmethoxypyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1cccnc1N)Cc2ccccc2
SMILES_CANONICALCACTVS3.341Nc1ncccc1OCc2ccccc2
SMILESCACTVS3.341Nc1ncccc1OCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COc2cccnc2N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COc2cccnc2N
InChIInChI1.03InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
InChIKeyInChI1.03NMCBWICNRJLKKM-UHFFFAOYSA-N

221371

PDB entries from 2024-06-19

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