[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl](methyl)amine

• ChemBase ID: 310444
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c12cc(ccc1OCCO2)C(NC)C
• Canonical SMILES: CNC(c1ccc2c(c1)OCCO2)C
• InChI: InChI=1S/C11H15NO2/c1-8(12-2)9-3-4-10-11(7-9)14-6-5-13-10/h3-4,7-8,12H,5-6H2,1-2H3
• InChIKey: MXSHFGAZNKNPHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl](methyl)amine
• Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylethanamine

Database IDs

• CAS Number: 381191-92-0
• MDL Number: MFCD02324800

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7137653
• LogD (pH = 7.4): -0.6302118
• Log P: 1.4613022
• Molar Refractivity: 54.6822 cm^3
• Polarizability: 21.6803 Å^3
• Polar Surface Area: 30.49 Å^2