1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine

C11H15F2NO2S — CID 55219614

IUPAC1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO2S/c1-8(14-2)7-9-5-3-4-6-10(9)17(15,16)11(12)13/h3-6,8,11,14H,7H2,1-2H3
InChIKeyYLMFUWKWYURRGP-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine

1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine (PubChem CID 55219614) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
PubChem CID55219614
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H15F2NO2S/c1-8(14-2)7-9-5-3-4-6-10(9)17(15,16)11(12)13/h3-6,8,11,14H,7H2,1-2H3
InChIKeyYLMFUWKWYURRGP-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethylsulfonyl)phenyl]-N,3,3-trimethylbutan-2-amine
CID 63198608
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
CID 63199727
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
1-(2-bromopentyl)-2-(difluoromethylsulfonyl)benzene
CID 55220091
N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
CID 63355414
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
CID 63200608
1-(2-chloro-2-cyclopropylethyl)-2-(difluoromethylsulfonyl)benzene
CID 55189792
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726410
2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474487
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
N,3-dimethyl-1-[2-(trifluoromethylsulfonyl)phenyl]butan-2-amine
CID 63202218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine (CID 55219614) is 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine?
The InChIKey is YLMFUWKWYURRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-8(14-2)7-9-5-3-4-6-10(9)17(15,16)11(12)13/h3-6,8,11,14H,7H2,1-2H3.
What are the key properties of 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine?
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 55219614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).