9VO

N-(phenylmethyl)pyridin-2-amine

Created:	2021-11-22
Last modified:	2022-08-22

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1 entries where 9VO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	12

2D diagram of 9VO

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Chemical Component Summary
Name	N-(phenylmethyl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(phenylmethyl)pyridin-2-amine
Formula	C₁₂ H₁₂ N₂
Molecular Weight	184.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C(Nc1ccccn1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2ccccn2
Canonical SMILES	CACTVS	3.385	C(Nc1ccccn1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2ccccn2
InChI	InChI	1.06	InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
InChIKey	InChI	1.06	WYHXNQXDQQMTQI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	23362
ChEMBL	CHEMBL391815
CCDC/CSD	SABVUP, WACKUI, WACKUI01
COD	2228535, 2228255

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.