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Summary

Name:1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
Formula:C12 H12 F N O
Formal charge:0
Molecular weight:205.228 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
OpenEye OEToolkits2.0.71-(3-fluorophenyl)-~{N}-(furan-2-ylmethyl)methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(CNCc1cc(F)ccc1)occc2
InChIInChI1.03InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
InChIKeyInChI1.03AFHNQIFVWMDQAM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(CNCc2occc2)c1
SMILESCACTVS3.385Fc1cccc(CNCc2occc2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)F)CNCc2ccco2
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)F)CNCc2ccco2
170172
PDB entries from 2020-10-21