1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride

C18H22ClN — CID 45259858

IUPAC1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C18H21N.ClH/c19-18(13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-12H,2,5-6,13-14,19H2;1H
InChIKeyVUDYIHDFXMNDSG-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.89
Rot. Bonds2

About 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride

1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45259858) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45259858
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C18H21N.ClH/c19-18(13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-12H,2,5-6,13-14,19H2;1H
InChIKeyVUDYIHDFXMNDSG-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride (CID 45259858) is 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride is Cl.NC1(c2ccc(-c3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is VUDYIHDFXMNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.ClH/c19-18(13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-12H,2,5-6,13-14,19H2;1H.
What are the key properties of 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride?
1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).