(1-benzofuran-2-ylmethyl)dimethylamine

• ChemBase ID: 85545
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: o1c(cc2c1cccc2)CN(C)C
• Canonical SMILES: CN(Cc1cc2c(o1)cccc2)C
• InChI: InChI=1S/C11H13NO/c1-12(2)8-10-7-9-5-3-4-6-11(9)13-10/h3-7H,8H2,1-2H3
• InChIKey: ICRJVJSYODYAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzofuran-2-ylmethyl)dimethylamine
• IUPAC Traditional name: (1-benzofuran-2-ylmethyl)dimethylamine
• Synonyms: N-benzo[b]furan-2-ylmethyl-N,N-dimethylamine

Database IDs

• MDL Number: MFCD00108452
• PubChem SID: 162072661
• PubChem CID: 2795422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0839142
• LogD (pH = 7.4): 0.59663653
• Log P: 1.9937671
• Molar Refractivity: 53.3193 cm^3
• Polarizability: 21.818214 Å^3
• Polar Surface Area: 16.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true