2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline

C15H21F2N — CID 43123923

IUPAC2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCC1CC(Nc2c(F)cccc2F)CC(C)(C)C1
InChIInChI=1S/C15H21F2N/c1-10-7-11(9-15(2,3)8-10)18-14-12(16)5-4-6-13(14)17/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyVFNLBXKSWNQNHY-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.59
Rot. Bonds2

About 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline

2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 43123923) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID43123923
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCC1CC(Nc2c(F)cccc2F)CC(C)(C)C1
InChIInChI=1S/C15H21F2N/c1-10-7-11(9-15(2,3)8-10)18-14-12(16)5-4-6-13(14)17/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyVFNLBXKSWNQNHY-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline 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 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline (CID 43123923) is 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline is CC1CC(Nc2c(F)cccc2F)CC(C)(C)C1.
What is the InChIKey of 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is VFNLBXKSWNQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-7-11(9-15(2,3)8-10)18-14-12(16)5-4-6-13(14)17/h4-6,10-11,18H,7-9H2,1-3H3.
What are the key properties of 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline?
2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 253.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 43123923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).