1-(2-aminophenyl)-2-methylpropan-1-ol

• ChemBase ID: 244041
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(C(C(C)C)O)c(N)cccc1
• Canonical SMILES: CC(C(c1ccccc1N)O)C
• InChI: InChI=1S/C10H15NO/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-7,10,12H,11H2,1-2H3
• InChIKey: WBTAGTVNDPLRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminophenyl)-2-methylpropan-1-ol
• IUPAC Traditional name: 1-(2-aminophenyl)-2-methylpropan-1-ol
• Synonyms: 1-(2-aminophenyl)-2-methylpropan-1-ol

Database IDs

• MDL Number: MFCD20426776
• PubChem SID: 164299951
• PubChem CID: 64834180

CALCULATED PROPERTIES

• Acid pKa: 14.218284
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6760263
• LogD (pH = 7.4): 1.6809767
• Log P: 1.6810403
• Molar Refractivity: 50.9887 cm^3
• Polarizability: 19.45595 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.064

Product Information

• Purity: 95%