benzyl(1,1-dimethoxy-2-methylpropan-2-yl)amine

• ChemBase ID: 278839
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: C(NCc1ccccc1)(C(OC)OC)(C)C
• Canonical SMILES: COC(C(NCc1ccccc1)(C)C)OC
• InChI: InChI=1S/C13H21NO2/c1-13(2,12(15-3)16-4)14-10-11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3
• InChIKey: UYOFPTYVADDRRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1,1-dimethoxy-2-methylpropan-2-yl)amine
• IUPAC Traditional name: benzyl(1,1-dimethoxy-2-methylpropan-2-yl)amine
• Synonyms: benzyl(1,1-dimethoxy-2-methylpropan-2-yl)amine

Database IDs

• MDL Number: MFCD20233537
• PubChem SID: 164334749
• PubChem CID: 54595011

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.39706638
• LogD (pH = 7.4): 1.2488854
• Log P: 2.4606733
• Molar Refractivity: 65.1876 cm^3
• Polarizability: 26.133215 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.062

Product Information

• Purity: 95%