N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C12H16F3NO2S — CID 54931550

IUPACN-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCS(C)(=O)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2S/c1-9(16-7-8-19(2,17)18)10-5-3-4-6-11(10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyQYFOIIUPNOUUMZ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.40
Rot. Bonds5

About N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 54931550) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID54931550
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC NameN-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCS(C)(=O)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2S/c1-9(16-7-8-19(2,17)18)10-5-3-4-6-11(10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyQYFOIIUPNOUUMZ-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
[4-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105290966
N-[(1S)-1-(2-methylphenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81375092
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
CID 106724109
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 54931550) is N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CC(NCCS(C)(=O)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QYFOIIUPNOUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-9(16-7-8-19(2,17)18)10-5-3-4-6-11(10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 295.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 54931550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).