JFJ

1-(3-chlorophenyl)-N-methylmethanamine

Created:	2018-09-10
Last modified:	2018-10-10

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4 entries where JFJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of JFJ

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Chemical Component Summary
Name	1-(3-chlorophenyl)-N-methylmethanamine
Systematic Name (OpenEye OEToolkits)	1-(3-chlorophenyl)-~{N}-methyl-methanamine
Formula	C₈ H₁₀ Cl N
Molecular Weight	155.625
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNCc1cccc(Cl)c1
SMILES	CACTVS	3.385	CNCc1cccc(Cl)c1
SMILES	OpenEye OEToolkits	2.0.6	CNCc1cccc(c1)Cl
Canonical SMILES	CACTVS	3.385	CNCc1cccc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNCc1cccc(c1)Cl
InChI	InChI	1.03	InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKey	InChI	1.03	ZPNLAQVYPIAHTO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122721
ChEMBL	CHEMBL1178161
CCDC/CSD	BUHBAK, BIQQUQ, BIQQOK

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.