3-[(cyclohexyloxy)methyl]aniline

• ChemBase ID: 264641
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: O(Cc1cc(N)ccc1)C1CCCCC1
• Canonical SMILES: Nc1cccc(c1)COC1CCCCC1
• InChI: InChI=1S/C13H19NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10,14H2
• InChIKey: WEUZIXMPMCFMHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(cyclohexyloxy)methyl]aniline
• IUPAC Traditional name: 3-[(cyclohexyloxy)methyl]aniline
• Synonyms: 3-[(cyclohexyloxy)methyl]aniline

Database IDs

• MDL Number: MFCD09815245
• PubChem SID: 164320551
• PubChem CID: 20114355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.79504
• LogD (pH = 7.4): 2.8190522
• Log P: 2.8193672
• Molar Refractivity: 63.3397 cm^3
• Polarizability: 24.330336 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.604

Product Information

• Purity: 95%