[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl](methyl)amine

• ChemBase ID: 310404
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O1C(COc2c1cccc2)C(NC)C
• Canonical SMILES: CNC(C1COc2c(O1)cccc2)C
• InChI: InChI=1S/C11H15NO2/c1-8(12-2)11-7-13-9-5-3-4-6-10(9)14-11/h3-6,8,11-12H,7H2,1-2H3
• InChIKey: VUAHSCOJFWABEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl](methyl)amine
• Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-methylethanamine

Database IDs

• CAS Number: 67011-31-8
• MDL Number: MFCD01659519

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5391744
• LogD (pH = 7.4): -0.29433936
• Log P: 1.598317
• Molar Refractivity: 53.8288 cm^3
• Polarizability: 21.685352 Å^3
• Polar Surface Area: 30.49 Å^2