4-cyclohexyl-N-[4-(propan-2-yl)phenyl]aniline

• ChemBase ID: 287375
• Molecular Formular: C21H27N
• Molecular Mass: 293.44578
• Monoisotopic Mass: 293.21434987
• SMILES: CC(c1ccc(Nc2ccc(C3CCCCC3)cc2)cc1)C
• Canonical SMILES: CC(c1ccc(cc1)Nc1ccc(cc1)C1CCCCC1)C
• InChI: InChI=1S/C21H27N/c1-16(2)17-8-12-20(13-9-17)22-21-14-10-19(11-15-21)18-6-4-3-5-7-18/h8-16,18,22H,3-7H2,1-2H3
• InChIKey: UXZMIAMPVHCAIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexyl-N-[4-(propan-2-yl)phenyl]aniline
• IUPAC Traditional name: 4-cyclohexyl-N-(4-isopropylphenyl)aniline
• Synonyms: (4-Cyclohexylphenyl)-(4-isopropylphenyl)amine

Database IDs

• CAS Number: 886365-92-0
• PubChem SID: 180672906
• PubChem CID: 25418255

CALCULATED PROPERTIES

• Molar Refractivity: 94.9266 cm^3
• Polarizability: 36.847317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.773133
• LogD (pH = 7.4): 6.7731695
• Log P: 6.77317

PROPERTIES

Product Information

• Purity: 95+%