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

C13H18F3NO2S — CID 75427916

IUPACN-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2S/c1-3-20(18,19)9-8-17-10(2)11-6-4-5-7-12(11)13(14,15)16/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyPWNHBXVFHSMWEG-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.79
Rot. Bonds6

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

N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 75427916) has the molecular formula C13H18F3NO2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID75427916
Molecular FormulaC13H18F3NO2S
Molecular Weight309.35 g/mol
Exact Mass309.10
IUPAC NameN-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2S/c1-3-20(18,19)9-8-17-10(2)11-6-4-5-7-12(11)13(14,15)16/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyPWNHBXVFHSMWEG-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfonylethyl)-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-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
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',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726
(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-(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-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 75427916) is N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CCS(=O)(=O)CCNC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PWNHBXVFHSMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2S/c1-3-20(18,19)9-8-17-10(2)11-6-4-5-7-12(11)13(14,15)16/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 309.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 75427916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).