C2A

1-(3-CHLOROPHENYL)METHANAMINE

Created:2005-12-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of C2A

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Chemical Component Summary

Name1-(3-CHLOROPHENYL)METHANAMINE
SynonymsINHIBITOR OF THROMBIN
Systematic Name (OpenEye OEToolkits)(3-chlorophenyl)methanamine
FormulaC7 H8 Cl N
Molecular Weight141.598
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(ccc1)CN
SMILESCACTVS3.341NCc1cccc(Cl)c1
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)Cl)CN
Canonical SMILESCACTVS3.341 NCc1cccc(Cl)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(cc(c1)Cl)CN
InChIInChI1.03 InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKeyInChI1.03 BJFPYGGTDAYECS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 77802
ChEMBL CHEMBL12957
CCDC/CSD DUVCUT, WIVQAT, NOJWOY, TEWXOI, TOYMEZ, PEXTUK, XITRID, XOVVIN, OBILEU