2-(benzylamino)cyclohexan-1-ol

• ChemBase ID: 124879
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N(C1C(O)CCCC1)Cc1ccccc1
• Canonical SMILES: OC1CCCCC1NCc1ccccc1
• InChI: InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2
• InChIKey: NJNCYFUGUYIMEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzylamino)cyclohexan-1-ol
• IUPAC Traditional name: 2-(benzylamino)cyclohexan-1-ol
• Synonyms: 2-(benzylamino)cyclohexanol

Database IDs

• PubChem SID: 162219232
• PubChem CID: 11701250

CALCULATED PROPERTIES

• Acid pKa: 14.603972
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9238779
• LogD (pH = 7.4): 0.13265422
• Log P: 2.2559617
• Molar Refractivity: 61.6817 cm^3
• Polarizability: 24.65497 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true