XFH

6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine

Created:	2010-05-27
Last modified:	2011-06-04

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3 entries where XFH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	18

2D diagram of XFH

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Chemical Component Summary
Name	6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2-[3-[2-(2-azanyl-6-methyl-pyridin-4-yl)ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₂₂ H₂₆ N₄
Molecular Weight	346.469
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(cc(cc1N)CCc2cccc(c2)CCc3nc(N)cc(c3)C)C
SMILES	CACTVS	3.370	Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C
Canonical SMILES	CACTVS	3.370	Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)c2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C
InChI	InChI	1.03	InChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25)
InChIKey	InChI	1.03	JVYPSLPLMFVFFX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46892821
ChEMBL	CHEMBL1615287

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