2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine

C12H16F3NS — CID 65128452

IUPAC2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCSCC(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NS/c1-3-17-8-11(16-2)9-6-4-5-7-10(9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3
InChIKeyTZTJGPCGGYXVQQ-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.72
Rot. Bonds5

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

2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65128452) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID65128452
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCSCC(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NS/c1-3-17-8-11(16-2)9-6-4-5-7-10(9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3
InChIKeyTZTJGPCGGYXVQQ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethylsulfanyl-N-methyl-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-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-[2,3-bis(trifluoromethyl)phenyl]-N-methylpropan-1-amine
CID 139966105
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 65128452) is 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine is CCSCC(NC)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is TZTJGPCGGYXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-3-17-8-11(16-2)9-6-4-5-7-10(9)12(13,14)15/h4-7,11,16H,3,8H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 263.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65128452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).