(1R)-1-(4-cyclohexylphenyl)ethan-1-amine

• ChemBase ID: 280608
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: c1(ccc(cc1)[C@H](N)C)C1CCCCC1
• Canonical SMILES: C[C@H](c1ccc(cc1)C1CCCCC1)N
• InChI: InChI=1S/C14H21N/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-11,13H,2-6,15H2,1H3/t11-/m1/s1
• InChIKey: OKHUAJLXSDHXCS-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-cyclohexylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(4-cyclohexylphenyl)ethanamine
• Synonyms: (1R)-1-(4-cyclohexylphenyl)ethanamine

Database IDs

• MDL Number: MFCD06761976
• PubChem SID: 180666139
• PubChem CID: 40465601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.62249863
• LogD (pH = 7.4): 1.3528521
• Log P: 3.6305785
• Molar Refractivity: 65.1418 cm^3
• Polarizability: 25.84778 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.023

Product Information

• Purity: 95%