1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one

C12H15F2NO — CID 43794901

IUPAC1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
SMILESCCN(C)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-4-15(3)8(2)12(16)9-5-6-10(13)11(14)7-9/h5-8H,4H2,1-3H3
InChIKeySKGQZZKWVWKDQU-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.49
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one

1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one (PubChem CID 43794901) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
PubChem CID43794901
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
SMILESCCN(C)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-4-15(3)8(2)12(16)9-5-6-10(13)11(14)7-9/h5-8H,4H2,1-3H3
InChIKeySKGQZZKWVWKDQU-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540
1-(3,4-difluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]propan-1-one
CID 79850848
1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
3-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]propanenitrile
CID 62036685
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
CID 62053086

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one (CID 43794901) is 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one is CCN(C)C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one?
The InChIKey is SKGQZZKWVWKDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-4-15(3)8(2)12(16)9-5-6-10(13)11(14)7-9/h5-8H,4H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one?
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one has a molecular weight of 227.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 43794901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).