W8F

1-(3-methoxy-4-methylphenyl)methanamine

Created:	2022-09-02
Last modified:	2022-11-02

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2 entries where W8F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of W8F

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Chemical Component Summary
Name	1-(3-methoxy-4-methylphenyl)methanamine
Systematic Name (OpenEye OEToolkits)	(3-methoxy-4-methyl-phenyl)methanamine
Formula	C₉ H₁₃ N O
Molecular Weight	151.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(cc1OC)CN
SMILES	CACTVS	3.385	COc1cc(CN)ccc1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1OC)CN
Canonical SMILES	CACTVS	3.385	COc1cc(CN)ccc1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1OC)CN
InChI	InChI	1.06	InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3
InChIKey	InChI	1.06	IGAKDRWFTAVNCF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22467613

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.