3-(4-cyclohexylphenyl)aniline

C18H21N — CID 55198652

IUPAC3-(4-cyclohexylphenyl)aniline
SMILESNc1cccc(-c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C18H21N/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6,19H2
InChIKeyNRPMHIUEPBTZCD-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.98
Rot. Bonds2

About 3-(4-cyclohexylphenyl)aniline

3-(4-cyclohexylphenyl)aniline (PubChem CID 55198652) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)aniline.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)aniline
PubChem CID55198652
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-(4-cyclohexylphenyl)aniline
SMILESNc1cccc(-c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C18H21N/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6,19H2
InChIKeyNRPMHIUEPBTZCD-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2-Aminoanthracene
CID 11937
2-Aminobiphenyl
CID 7015
4,4'-Methylenedianiline dihydrochloride
CID 26108
1-Aminoanthracene
CID 11885
3-Aminobiphenyl
CID 16717
Benzidine dihydrochloride
CID 10754
3-Ethylaniline
CID 11475
2,4'-Biphenyldiamine
CID 10292
4'-Fluoro(1,1'-biphenyl)-4-amine
CID 9462

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)aniline?
The IUPAC name of 3-(4-cyclohexylphenyl)aniline (CID 55198652) is 3-(4-cyclohexylphenyl)aniline.
What is the SMILES notation for 3-(4-cyclohexylphenyl)aniline?
The canonical SMILES for 3-(4-cyclohexylphenyl)aniline is Nc1cccc(-c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 3-(4-cyclohexylphenyl)aniline?
The InChIKey is NRPMHIUEPBTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h4,7-14H,1-3,5-6,19H2.
What are the key properties of 3-(4-cyclohexylphenyl)aniline?
3-(4-cyclohexylphenyl)aniline has a molecular weight of 251.37 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)aniline is sourced from PubChem (CID 55198652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).