2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine

C16H16F3NS — CID 64619482

IUPAC2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(SCC(N)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NS/c1-11-5-7-14(8-6-11)21-10-15(20)12-3-2-4-13(9-12)16(17,18)19/h2-9,15H,10,20H2,1H3
InChIKeyIUYOQJSUTPAJFN-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.81
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine

2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64619482) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64619482
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1ccc(SCC(N)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NS/c1-11-5-7-14(8-6-11)21-10-15(20)12-3-2-4-13(9-12)16(17,18)19/h2-9,15H,10,20H2,1H3
InChIKeyIUYOQJSUTPAJFN-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)sulfanyl-1-[3-(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

2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64631082
1-[isocyano-(4-methylphenyl)sulfanylmethyl]-3-(trifluoromethyl)benzene
CID 10662503
2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64620794
ethyl 2-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylacetate
CID 64612931
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64619482) is 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine is Cc1ccc(SCC(N)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is IUYOQJSUTPAJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c1-11-5-7-14(8-6-11)21-10-15(20)12-3-2-4-13(9-12)16(17,18)19/h2-9,15H,10,20H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 311.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64619482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).