1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone

C14H19F2NO — CID 43796028

IUPAC1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
SMILESCCCCCN(C)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-3-4-5-9-17(2)10-13(18)14-11(15)7-6-8-12(14)16/h6-8H,3-5,9-10H2,1-2H3
InChIKeyFITPAAISORAOPH-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.27
Rot. Bonds7

About 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone

1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone (PubChem CID 43796028) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
PubChem CID43796028
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
SMILESCCCCCN(C)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-3-4-5-9-17(2)10-13(18)14-11(15)7-6-8-12(14)16/h6-8H,3-5,9-10H2,1-2H3
InChIKeyFITPAAISORAOPH-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
methyl 2,6-difluorobenzoate;tricosane
CID 174987111

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone (CID 43796028) is 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone is CCCCCN(C)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone?
The InChIKey is FITPAAISORAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-4-5-9-17(2)10-13(18)14-11(15)7-6-8-12(14)16/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone?
1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone has a molecular weight of 255.31 g/mol, XLogP of 3.27, 7 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(pentyl)amino]ethanone is sourced from PubChem (CID 43796028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).