(2,3-dihydro-1-benzofuran-2-ylmethyl)(methyl)amine

• ChemBase ID: 306856
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: O1c2c(CC1CNC)cccc2
• Canonical SMILES: CNCC1Cc2c(O1)cccc2
• InChI: InChI=1S/C10H13NO/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-5,9,11H,6-7H2,1H3
• InChIKey: XVGKHRKVBNBRDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-2-ylmethyl)(methyl)amine
• IUPAC Traditional name: (2,3-dihydro-1-benzofuran-2-ylmethyl)(methyl)amine
• Synonyms: (2,3-dihydro-1-benzofuran-2-ylmethyl)methylamine

Database IDs

• CAS Number: 21130-01-8
• MDL Number: MFCD00460575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6401938
• LogD (pH = 7.4): -0.6560537
• Log P: 1.5508267
• Molar Refractivity: 48.2254 cm^3
• Polarizability: 19.098345 Å^3
• Polar Surface Area: 21.26 Å^2