A1CN3

6-({2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

Created:	2025-08-21
Last modified:	2025-09-10

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3 entries where A1CN3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of A1CN3

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Chemical Component Summary
Name	6-({2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[[2,3-bis(fluoranyl)-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methyl-pyridin-2-amine
Formula	C₁₆ H₁₉ F₂ N₃ O
Molecular Weight	307.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1cc(COc2cc(CCNC)cc(F)c2F)nc(N)c1
SMILES	CACTVS	3.385	CNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCNC
Canonical SMILES	CACTVS	3.385	CNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCNC
InChI	InChI	1.06	InChI=1S/C16H19F2N3O/c1-10-5-12(21-15(19)6-10)9-22-14-8-11(3-4-20-2)7-13(17)16(14)18/h5-8,20H,3-4,9H2,1-2H3,(H2,19,21)
InChIKey	InChI	1.06	ZZDNZFBZKZFPJU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	176515337

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