A1CN4

6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine

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

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3 entries where A1CN4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	12

2D diagram of A1CN4

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Chemical Component Summary
Name	6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[[5-[2-[ethyl(methyl)amino]ethyl]-2,3-bis(fluoranyl)phenoxy]methyl]-4-methyl-pyridin-2-amine
Formula	C₁₈ H₂₃ F₂ N₃ O
Molecular Weight	335.392
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1cc(COc2cc(CCN(C)CC)cc(F)c2F)nc(N)c1
SMILES	CACTVS	3.385	CCN(C)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1
SMILES	OpenEye OEToolkits	3.1.0.0	CCN(C)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2)N)C
Canonical SMILES	CACTVS	3.385	CCN(C)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCN(C)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2)N)C
InChI	InChI	1.06	InChI=1S/C18H23F2N3O/c1-4-23(3)6-5-13-9-15(19)18(20)16(10-13)24-11-14-7-12(2)8-17(21)22-14/h7-10H,4-6,11H2,1-3H3,(H2,21,22)
InChIKey	InChI	1.06	KKUQEGIUSYLMKC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	176515338

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