N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine

C11H14F3NO2S — CID 104518481

IUPACN-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
SMILESCNC(c1c(F)cc(F)cc1F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H14F3NO2S/c1-6(18(3,16)17)11(15-2)10-8(13)4-7(12)5-9(10)14/h4-6,11,15H,1-3H3
InChIKeyZPVUAYOCHPSALI-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine

N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine (PubChem CID 104518481) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
PubChem CID104518481
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
SMILESCNC(c1c(F)cc(F)cc1F)C(C)S(C)(=O)=O
InChIInChI=1S/C11H14F3NO2S/c1-6(18(3,16)17)11(15-2)10-8(13)4-7(12)5-9(10)14/h4-6,11,15H,1-3H3
InChIKeyZPVUAYOCHPSALI-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 113421976
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105046197
1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105011894
1-(2,3-difluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 115861998
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
1-(2,4,6-trifluorophenyl)ethyl methanesulfonate
CID 22182424
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104519048
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 105016528
1-(3,4-difluorophenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 113422166
N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 104518447
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine (CID 104518481) is N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine is CNC(c1c(F)cc(F)cc1F)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
The InChIKey is ZPVUAYOCHPSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-6(18(3,16)17)11(15-2)10-8(13)4-7(12)5-9(10)14/h4-6,11,15H,1-3H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine?
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine has a molecular weight of 281.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 104518481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).