{3-[(cyclohexyloxy)methyl]phenyl}methanamine

• ChemBase ID: 273428
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: O(Cc1cc(CN)ccc1)C1CCCCC1
• Canonical SMILES: NCc1cccc(c1)COC1CCCCC1
• InChI: InChI=1S/C14H21NO/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11,15H2
• InChIKey: ZWAWMABHDFAJPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(cyclohexyloxy)methyl]phenyl}methanamine
• IUPAC Traditional name: {3-[(cyclohexyloxy)methyl]phenyl}methanamine
• Synonyms: {3-[(cyclohexyloxy)methyl]phenyl}methanamine

Database IDs

• MDL Number: MFCD09740904
• PubChem SID: 164329338
• PubChem CID: 16794079

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.21077771
• LogD (pH = 7.4): 0.7521074
• Log P: 2.7740614
• Molar Refractivity: 67.1127 cm^3
• Polarizability: 26.569387 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.783

Product Information

• Purity: 95%