1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine

C15H22ClN — CID 68673059

IUPAC1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine
SMILESCNC(C)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H22ClN/c1-12(17-2)15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyFGAFOULALAFSBX-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.15
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine

1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine (PubChem CID 68673059) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine
PubChem CID68673059
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine
SMILESCNC(C)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H22ClN/c1-12(17-2)15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3
InChIKeyFGAFOULALAFSBX-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine 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 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine (CID 68673059) is 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine is CNC(C)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine?
The InChIKey is FGAFOULALAFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12(17-2)15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine?
1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 68673059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).