1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine

C10H13F2NO2S — CID 62802366

IUPAC1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2S/c1-13-10(6-16(2,14)15)8-4-3-7(11)5-9(8)12/h3-5,10,13H,6H2,1-2H3
InChIKeyFIVVEFJBZHULOM-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.27
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine

1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 62802366) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID62802366
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2S/c1-13-10(6-16(2,14)15)8-4-3-7(11)5-9(8)12/h3-5,10,13H,6H2,1-2H3
InChIKeyFIVVEFJBZHULOM-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 105022440
N-methyl-2-methylsulfonyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115605867
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
CID 66143100
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine (CID 62802366) is 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine is CNC(CS(C)(=O)=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is FIVVEFJBZHULOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-13-10(6-16(2,14)15)8-4-3-7(11)5-9(8)12/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine?
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 249.28 g/mol, XLogP of 1.27, 4 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-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 62802366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).