[2-(cyclohexylamino)phenyl]methanol

• ChemBase ID: 816210
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N(C1CCCCC1)c1c(cccc1)CO
• Canonical SMILES: OCc1ccccc1NC1CCCCC1
• InChI: InChI=1S/C13H19NO/c15-10-11-6-4-5-9-13(11)14-12-7-2-1-3-8-12/h4-6,9,12,14-15H,1-3,7-8,10H2
• InChIKey: LAJAQHGRIOIMGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohexylamino)phenyl]methanol
• IUPAC Traditional name: [2-(cyclohexylamino)phenyl]methanol
• Synonyms: 2-CIS-HYDROXYMETHYL-4-TRANS-PHENYL-1-CYCLOHEXYLAMINE

Database IDs

• CAS Number: 195190-88-6

CALCULATED PROPERTIES

• Acid pKa: 14.976685
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4604065
• LogD (pH = 7.4): 2.4777193
• Log P: 2.4779446
• Molar Refractivity: 64.0819 cm^3
• Polarizability: 24.255125 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%