KMS

6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine

Created:	2019-01-03
Last modified:	2019-03-13

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3 entries where KMS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

2D diagram of KMS

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Chemical Component Summary
Name	6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2-[5-[3-(dimethylamino)propyl]-2,3,4-tris(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₁₉ H₂₄ F₃ N₃
Molecular Weight	351.409
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(cc(C)cc(CCc1c(F)c(F)c(c(c1)CCCN(C)C)F)n2)N
SMILES	CACTVS	3.385	CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)c(F)c(F)c1F
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C
Canonical SMILES	CACTVS	3.385	CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)c(F)c(F)c1F
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C
InChI	InChI	1.03	InChI=1S/C19H24F3N3/c1-12-9-15(24-16(23)10-12)7-6-14-11-13(5-4-8-25(2)3)17(20)19(22)18(14)21/h9-11H,4-8H2,1-3H3,(H2,23,24)
InChIKey	InChI	1.03	QBZKHLSOLPLXGI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137530118

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