2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine

C15H22FNS — CID 64735573

IUPAC2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-10-8-11(2)15(14(9-10)17-3)18-13-6-4-12(16)5-7-13/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyCABGHEMGFKLNLN-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine

2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64735573) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64735573
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-10-8-11(2)15(14(9-10)17-3)18-13-6-4-12(16)5-7-13/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyCABGHEMGFKLNLN-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine 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-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (CID 64735573) is 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is CABGHEMGFKLNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-10-8-11(2)15(14(9-10)17-3)18-13-6-4-12(16)5-7-13/h4-7,10-11,14-15,17H,8-9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64735573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).