1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine

C12H17F2NO2S — CID 113422000

IUPAC1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(F)cc1F)C(C)S(C)(=O)=O
InChIInChI=1S/C12H17F2NO2S/c1-4-15-12(8(2)18(3,16)17)10-6-5-9(13)7-11(10)14/h5-8,12,15H,4H2,1-3H3
InChIKeyLHWPTOYMVXKQOR-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.05
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine

1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 113422000) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID113422000
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(F)cc1F)C(C)S(C)(=O)=O
InChIInChI=1S/C12H17F2NO2S/c1-4-15-12(8(2)18(3,16)17)10-6-5-9(13)7-11(10)14/h5-8,12,15H,4H2,1-3H3
InChIKeyLHWPTOYMVXKQOR-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 104519997
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518932
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518952
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine (CID 113422000) is 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(c1ccc(F)cc1F)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is LHWPTOYMVXKQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-4-15-12(8(2)18(3,16)17)10-6-5-9(13)7-11(10)14/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine?
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 113422000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).