9M9

7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine

Created:	2015-08-21
Last modified:	2015-10-28

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3 entries where 9M9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of 9M9

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Chemical Component Summary
Name	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
Formula	C₁₇ H₁₇ N₃ O
Molecular Weight	279.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN
Canonical SMILES	CACTVS	3.385	NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN
InChI	InChI	1.03	InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
InChIKey	InChI	1.03	ADYDYORVGGQJTJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91971385
ChEMBL	CHEMBL3736587

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.