[2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine

C14H18F3NS — CID 141454696

IUPAC[2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)cc1SC1CCCCC1
InChIInChI=1S/C14H18F3NS/c15-14(16,17)11-7-6-10(9-18)13(8-11)19-12-4-2-1-3-5-12/h6-8,12H,1-5,9,18H2
InChIKeyKBNDTZOLFJGYIY-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.59
Rot. Bonds3

About [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine

[2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 141454696) has the molecular formula C14H18F3NS and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID141454696
Molecular FormulaC14H18F3NS
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name[2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)cc1SC1CCCCC1
InChIInChI=1S/C14H18F3NS/c15-14(16,17)11-7-6-10(9-18)13(8-11)19-12-4-2-1-3-5-12/h6-8,12H,1-5,9,18H2
InChIKeyKBNDTZOLFJGYIY-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine (CID 141454696) is [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine is NCc1ccc(C(F)(F)F)cc1SC1CCCCC1.
What is the InChIKey of [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KBNDTZOLFJGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NS/c15-14(16,17)11-7-6-10(9-18)13(8-11)19-12-4-2-1-3-5-12/h6-8,12H,1-5,9,18H2.
What are the key properties of [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
[2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 289.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexylsulfanyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 141454696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).