1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine

C11H15F2NO2S — CID 115861998

IUPAC1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cccc(F)c1F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15F2NO2S/c1-7(17(3,15)16)11(14-2)8-5-4-6-9(12)10(8)13/h4-7,11,14H,1-3H3
InChIKeyAKMYEIRXAVCWHK-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.66
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine

1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115861998) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115861998
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cccc(F)c1F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H15F2NO2S/c1-7(17(3,15)16)11(14-2)8-5-4-6-9(12)10(8)13/h4-7,11,14H,1-3H3
InChIKeyAKMYEIRXAVCWHK-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105011894
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 103915804
1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
CID 115799713
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114978285
N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102710024
N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide
CID 99576760
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 105019058
1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
(2,3-difluorophenyl)-fluoromethanesulfonamide
CID 90425501

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine (CID 115861998) is 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine is CNC(c1cccc(F)c1F)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is AKMYEIRXAVCWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-7(17(3,15)16)11(14-2)8-5-4-6-9(12)10(8)13/h4-7,11,14H,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115861998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).