{[3-(1,3-dioxolan-2-yl)phenyl]methyl}(methyl)amine

• ChemBase ID: 801719
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N(C)Cc1cc(ccc1)C1OCCO1
• Canonical SMILES: CNCc1cccc(c1)C1OCCO1
• InChI: InChI=1S/C11H15NO2/c1-12-8-9-3-2-4-10(7-9)11-13-5-6-14-11/h2-4,7,11-12H,5-6,8H2,1H3
• InChIKey: UHUSHLINJFTZJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(1,3-dioxolan-2-yl)phenyl]methyl}(methyl)amine
• IUPAC Traditional name: {[3-(1,3-dioxolan-2-yl)phenyl]methyl}(methyl)amine
• Synonyms: N-[3-(1,3-DIOXOLAN-2-YL)BENZYL]-N-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6683366
• LogD (pH = 7.4): -0.6314016
• Log P: 1.514749
• Molar Refractivity: 54.6852 cm^3
• Polarizability: 21.70215 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%