1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone

C14H19F2NO — CID 43796826

IUPAC1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(C)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-4-10(5-2)17(3)9-13(18)14-11(15)7-6-8-12(14)16/h6-8,10H,4-5,9H2,1-3H3
InChIKeySXRPJKILTLLILD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.27
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone

1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone (PubChem CID 43796826) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
PubChem CID43796826
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(C)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-4-10(5-2)17(3)9-13(18)14-11(15)7-6-8-12(14)16/h6-8,10H,4-5,9H2,1-3H3
InChIKeySXRPJKILTLLILD-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 61437544
1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone
CID 112662027
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
1-(2,6-difluorophenyl)-2-[(dimethylamino)methyl]butan-1-one
CID 67667335
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone (CID 43796826) is 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone is CCC(CC)N(C)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone?
The InChIKey is SXRPJKILTLLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-4-10(5-2)17(3)9-13(18)14-11(15)7-6-8-12(14)16/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone?
1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone has a molecular weight of 255.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone is sourced from PubChem (CID 43796826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).