2-(cyclohexylmethoxy)aniline

• ChemBase ID: 19499
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: O(c1c(N)cccc1)CC1CCCCC1
• Canonical SMILES: Nc1ccccc1OCC1CCCCC1
• InChI: InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,14H2
• InChIKey: HZAKEPRQZUEFPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylmethoxy)aniline
• IUPAC Traditional name: 2-(cyclohexylmethoxy)aniline
• Synonyms: 2-(Cyclohexylmethoxy)aniline

Database IDs

• MDL Number: MFCD08687494
• PubChem SID: 160982806
• PubChem CID: 19626924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.062814
• LogD (pH = 7.4): 3.1004303
• Log P: 3.100932
• Molar Refractivity: 62.9666 cm^3
• Polarizability: 24.32078 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false