[2-(5-methoxy-1-benzofuran-3-yl)ethyl]dimethylamine

• ChemBase ID: 127063
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: CN(C)CCc1coc2c1cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN(C)C)co2
• InChI: InChI=1S/C13H17NO2/c1-14(2)7-6-10-9-16-13-5-4-11(15-3)8-12(10)13/h4-5,8-9H,6-7H2,1-3H3
• InChIKey: WBPQJTBOQCCTFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-methoxy-1-benzofuran-3-yl)ethyl]dimethylamine
• IUPAC Traditional name: dimemebfe
• Synonyms: Dimemebfe

Database IDs

• CAS Number: 140853-58-3
• PubChem SID: 162221386
• PubChem CID: 126589
• Chemspider ID: 112474
• Wikipedia Title: Dimemebfe

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0124806
• LogD (pH = 7.4): 0.5651358
• Log P: 2.204756
• Molar Refractivity: 64.66 cm^3
• Polarizability: 26.058777 Å^3
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: legal