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JHD

Summary
Name:1-(3,4-dimethoxyphenyl)methanamine
Formula:C9 H13 N O2
Formal charge:0
Formula weight:167.205 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(3,4-dimethoxyphenyl)methanamine
OpenEye OEToolkits2.0.6(3,4-dimethoxyphenyl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1c(OC)ccc(CN)c1
InChIInChI1.03InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKeyInChI1.03DIVNUTGTTIRPQA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CN)cc1OC
SMILESCACTVS3.385COc1ccc(CN)cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(cc1OC)CN
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1OC)CN

225158

PDB entries from 2024-09-18

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