9X3

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Summary

Name:N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
Formula:C13 H20 N2 O
Formal charge:0
Molecular weight:220.311 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
OpenEye OEToolkits1.7.6N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O2CCN(Cc1cc(ccc1)CNC)CC2
InChIInChI1.03InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyInChI1.03JZMYRFZAMCXUIF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCc1cccc(CN2CCOCC2)c1
SMILESCACTVS3.385CNCc1cccc(CN2CCOCC2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CNCc1cccc(c1)CN2CCOCC2
SMILESOpenEye OEToolkits1.7.6CNCc1cccc(c1)CN2CCOCC2
169117
PDB entries from 2020-09-23