4-(2-amino-2-methylpropyl)phenol

• ChemBase ID: 309677
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C(Cc1ccc(cc1)O)(N)(C)C
• Canonical SMILES: CC(Cc1ccc(cc1)O)(N)C
• InChI: InChI=1S/C10H15NO/c1-10(2,11)7-8-3-5-9(12)6-4-8/h3-6,12H,7,11H2,1-2H3
• InChIKey: DQFAEBUKXCRWHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-amino-2-methylpropyl)phenol
• IUPAC Traditional name: 4-(2-amino-2-methylpropyl)phenol
• Synonyms: 4-(2-amino-2-methylpropyl)phenol

Database IDs

• CAS Number: 51706-55-9
• MDL Number: MFCD00869778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2430643
• LogD (pH = 7.4): -0.8336574
• Log P: 1.1580855
• Molar Refractivity: 50.3243 cm^3
• Polarizability: 19.761078 Å^3
• Polar Surface Area: 46.25 Å^2