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

C15H21F2NS — CID 64737339

IUPAC2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NS/c1-9-6-10(2)15(14(7-9)18-3)19-11-4-5-12(16)13(17)8-11/h4-5,8-10,14-15,18H,6-7H2,1-3H3
InChIKeyJUCRTUSLZRSJFW-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.08
Rot. Bonds3

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

2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64737339) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64737339
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NS/c1-9-6-10(2)15(14(7-9)18-3)19-11-4-5-12(16)13(17)8-11/h4-5,8-10,14-15,18H,6-7H2,1-3H3
InChIKeyJUCRTUSLZRSJFW-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)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-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (CID 64737339) is 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is JUCRTUSLZRSJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c1-9-6-10(2)15(14(7-9)18-3)19-11-4-5-12(16)13(17)8-11/h4-5,8-10,14-15,18H,6-7H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 285.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64737339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).