1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine

C12H17F2NO2S — CID 86866890

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(c1ccc(F)cc1F)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H17F2NO2S/c1-9(15(2)6-7-18(3,16)17)11-5-4-10(13)8-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAFCDKSOEVCCRJZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.00
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine

1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 86866890) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine
PubChem CID86866890
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(c1ccc(F)cc1F)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H17F2NO2S/c1-9(15(2)6-7-18(3,16)17)11-5-4-10(13)8-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAFCDKSOEVCCRJZ-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]-methylamino]acetonitrile
CID 129488563
1-(3,4-difluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]propan-1-one
CID 79850848
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
3-fluoro-4-[1-[methyl(propyl)amino]ethyl]phenol
CID 107720983
2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82977734
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline
CID 141088267
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
3-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-methylpropanamide
CID 107721203
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine (CID 86866890) is 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine is CC(c1ccc(F)cc1F)N(C)CCS(C)(=O)=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is AFCDKSOEVCCRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-9(15(2)6-7-18(3,16)17)11-5-4-10(13)8-12(11)14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine?
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 86866890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).