[2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine

C15H20F3NS — CID 141454708

IUPAC[2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCC1CCCCC1Sc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C15H20F3NS/c1-10-4-2-3-5-13(10)20-14-8-12(15(16,17)18)7-6-11(14)9-19/h6-8,10,13H,2-5,9,19H2,1H3
InChIKeyHGMSUVWNXXHJDF-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.83
Rot. Bonds3

About [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine

[2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 141454708) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID141454708
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC Name[2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCC1CCCCC1Sc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C15H20F3NS/c1-10-4-2-3-5-13(10)20-14-8-12(15(16,17)18)7-6-11(14)9-19/h6-8,10,13H,2-5,9,19H2,1H3
InChIKeyHGMSUVWNXXHJDF-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine (CID 141454708) is [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine is CC1CCCCC1Sc1cc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HGMSUVWNXXHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c1-10-4-2-3-5-13(10)20-14-8-12(15(16,17)18)7-6-11(14)9-19/h6-8,10,13H,2-5,9,19H2,1H3.
What are the key properties of [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine?
[2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylcyclohexyl)sulfanyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 141454708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).