1-(4-methoxyphenyl)cyclohexan-1-amine

• ChemBase ID: 266441
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: C1(c2ccc(cc2)OC)(N)CCCCC1
• Canonical SMILES: COc1ccc(cc1)C1(N)CCCCC1
• InChI: InChI=1S/C13H19NO/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13/h5-8H,2-4,9-10,14H2,1H3
• InChIKey: CFTBUCKEQRAUOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)cyclohexan-1-amine
• IUPAC Traditional name: 1-(4-methoxyphenyl)cyclohexan-1-amine
• Synonyms: 1-(4-methoxyphenyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD09903766
• PubChem SID: 164322351
• PubChem CID: 24273705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35540867
• LogD (pH = 7.4): 0.17154056
• Log P: 2.6643822
• Molar Refractivity: 61.8984 cm^3
• Polarizability: 24.711529 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.034

Product Information

• Purity: 95%