C2A

1-(3-CHLOROPHENYL)METHANAMINE

Created:	2005-12-08
Last modified:	2025-08-01

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1 entries where C2A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of C2A

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Chemical Component Summary
Name	1-(3-CHLOROPHENYL)METHANAMINE
Synonyms	INHIBITOR OF THROMBIN
Systematic Name (OpenEye OEToolkits)	(3-chlorophenyl)methanamine
Formula	C₇ H₈ Cl N
Molecular Weight	141.598
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(ccc1)CN
SMILES	CACTVS	3.341	NCc1cccc(Cl)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)CN
Canonical SMILES	CACTVS	3.341	NCc1cccc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)CN
InChI	InChI	1.03	InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey	InChI	1.03	BJFPYGGTDAYECS-UHFFFAOYSA-N

Related Resource References

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

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