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

C13H17F2NO2 — CID 63008925

IUPAC1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCOCCCN(C)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-16(7-4-8-18-2)9-12(17)13-10(14)5-3-6-11(13)15/h3,5-6H,4,7-9H2,1-2H3
InChIKeyJGVOVRVTRMZPEF-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.12
Rot. Bonds7

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

1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone (PubChem CID 63008925) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
PubChem CID63008925
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCOCCCN(C)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-16(7-4-8-18-2)9-12(17)13-10(14)5-3-6-11(13)15/h3,5-6H,4,7-9H2,1-2H3
InChIKeyJGVOVRVTRMZPEF-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008573
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927411
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
1-(4-ethoxyphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63007660
1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone (CID 63008925) is 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone is COCCCN(C)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The InChIKey is JGVOVRVTRMZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-16(7-4-8-18-2)9-12(17)13-10(14)5-3-6-11(13)15/h3,5-6H,4,7-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone?
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone has a molecular weight of 257.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 63008925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).