1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine

C18H20ClN — CID 63407795

IUPAC1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
SMILESNC1(c2ccc(Cl)cc2)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H20ClN/c19-17-8-6-16(7-9-17)18(20)12-10-15(11-13-18)14-4-2-1-3-5-14/h1-9,15H,10-13,20H2
InChIKeyGCOPIRWVHBZVSR-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.85
Rot. Bonds2

About 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine

1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine (PubChem CID 63407795) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
PubChem CID63407795
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
SMILESNC1(c2ccc(Cl)cc2)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H20ClN/c19-17-8-6-16(7-9-17)18(20)12-10-15(11-13-18)14-4-2-1-3-5-14/h1-9,15H,10-13,20H2
InChIKeyGCOPIRWVHBZVSR-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine (CID 63407795) is 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine is NC1(c2ccc(Cl)cc2)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine?
The InChIKey is GCOPIRWVHBZVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c19-17-8-6-16(7-9-17)18(20)12-10-15(11-13-18)14-4-2-1-3-5-14/h1-9,15H,10-13,20H2.
What are the key properties of 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine?
1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine has a molecular weight of 285.82 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 63407795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).