3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine

C13H17ClFN — CID 112567490

IUPAC3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClFN/c14-12-6-2-1-4-10(12)8-13(15)7-3-5-11(16)9-13/h1-2,4,6,11H,3,5,7-9,16H2
InChIKeyYEGVSNVKJNEDRD-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.49
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine

3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 112567490) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID112567490
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClFN/c14-12-6-2-1-4-10(12)8-13(15)7-3-5-11(16)9-13/h1-2,4,6,11H,3,5,7-9,16H2
InChIKeyYEGVSNVKJNEDRD-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-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 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine (CID 112567490) is 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine is NC1CCCC(F)(Cc2ccccc2Cl)C1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine?
The InChIKey is YEGVSNVKJNEDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-12-6-2-1-4-10(12)8-13(15)7-3-5-11(16)9-13/h1-2,4,6,11H,3,5,7-9,16H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine?
3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).