8VJ

7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine

Created:	2015-08-20
Last modified:	2015-10-28

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4 entries where 8VJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	17

2D diagram of 8VJ

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Chemical Component Summary
Name	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
Systematic Name (OpenEye OEToolkits)	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
Formula	C₁₉ H₂₁ N₃ O
Molecular Weight	307.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
SMILES	OpenEye OEToolkits	1.7.6	CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N
Canonical SMILES	CACTVS	3.385	CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N
InChI	InChI	1.03	InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
InChIKey	InChI	1.03	RSUBEKFHYBPGDT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91971386
ChEMBL	CHEMBL3736592

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