[2-(cyclohexyloxy)-4-methylphenyl]methanamine

• ChemBase ID: 237049
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: c1(c(ccc(c1)C)CN)OC1CCCCC1
• Canonical SMILES: NCc1ccc(cc1OC1CCCCC1)C
• InChI: InChI=1S/C14H21NO/c1-11-7-8-12(10-15)14(9-11)16-13-5-3-2-4-6-13/h7-9,13H,2-6,10,15H2,1H3
• InChIKey: QNIMHIQMTXEXRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohexyloxy)-4-methylphenyl]methanamine
• IUPAC Traditional name: [2-(cyclohexyloxy)-4-methylphenyl]methanamine
• Synonyms: [2-(cyclohexyloxy)-4-methylphenyl]methanamine

Database IDs

• MDL Number: MFCD16731716
• PubChem SID: 164292959
• PubChem CID: 62306762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.34880897
• LogD (pH = 7.4): 1.6608663
• Log P: 3.254035
• Molar Refractivity: 67.05 cm^3
• Polarizability: 26.47877 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.543

Product Information

• Purity: 95%