1-(4-aminophenyl)-2,2-dimethylpropan-1-one

• ChemBase ID: 234879
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C(=O)(C(C)(C)C)c1ccc(N)cc1
• Canonical SMILES: O=C(C(C)(C)C)c1ccc(cc1)N
• InChI: InChI=1S/C11H15NO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3
• InChIKey: IMKFGDHZVCABHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminophenyl)-2,2-dimethylpropan-1-one
• IUPAC Traditional name: 1-(4-aminophenyl)-2,2-dimethylpropan-1-one
• Synonyms: 1-(4-aminophenyl)-2,2-dimethylpropan-1-one

Database IDs

• MDL Number: MFCD04119870
• PubChem SID: 164290789
• PubChem CID: 4197544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4999611
• LogD (pH = 7.4): 2.5014844
• Log P: 2.5015037
• Molar Refractivity: 54.8636 cm^3
• Polarizability: 20.734148 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.101

Product Information

• Purity: 95%