2-N-(4-phenylphenyl)cyclohexane-1,2-diamine

C18H22N2 — CID 115117777

IUPAC2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c19-17-8-4-5-9-18(17)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,20H,4-5,8-9,19H2
InChIKeyCPRXCGQTZJFNGT-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.04
Rot. Bonds3

About 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine

2-N-(4-phenylphenyl)cyclohexane-1,2-diamine (PubChem CID 115117777) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
PubChem CID115117777
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c19-17-8-4-5-9-18(17)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,20H,4-5,8-9,19H2
InChIKeyCPRXCGQTZJFNGT-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
N-cyclopropyl-4-phenylaniline
CID 83702708
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
CID 102571486
1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine (CID 115117777) is 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine is NC1CCCCC1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine?
The InChIKey is CPRXCGQTZJFNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-17-8-4-5-9-18(17)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,20H,4-5,8-9,19H2.
What are the key properties of 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine?
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenylphenyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).