{2-[(propan-2-yl)amino]phenyl}methanol

• ChemBase ID: 282377
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(NC(C)C)c(CO)cccc1
• Canonical SMILES: OCc1ccccc1NC(C)C
• InChI: InChI=1S/C10H15NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-6,8,11-12H,7H2,1-2H3
• InChIKey: CAVIKRQEQSWYQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(propan-2-yl)amino]phenyl}methanol
• IUPAC Traditional name: [2-(isopropylamino)phenyl]methanol
• Synonyms: [2-(propan-2-ylamino)phenyl]methanol

Database IDs

• MDL Number: MFCD06797698
• PubChem SID: 180667908
• PubChem CID: 10797123

CALCULATED PROPERTIES

• Acid pKa: 14.976939
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4347281
• LogD (pH = 7.4): 1.4518346
• Log P: 1.4520571
• Molar Refractivity: 52.2351 cm^3
• Polarizability: 19.455404 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.441

Product Information

• Purity: 95%