(2,3-dihydro-1-benzofuran-5-ylmethylidene)(ethoxy)amine

• ChemBase ID: 82802
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: O1c2c(cc(cc2)/C=N/OCC)CC1
• Canonical SMILES: CCO/N=C/c1ccc2c(c1)CCO2
• InChI: InChI=1S/C11H13NO2/c1-2-14-12-8-9-3-4-11-10(7-9)5-6-13-11/h3-4,7-8H,2,5-6H2,1H3
• InChIKey: DMCZNSMZRTWQHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-5-ylmethylidene)(ethoxy)amine
• IUPAC Traditional name: (2,3-dihydro-1-benzofuran-5-ylmethylidene)(ethoxy)amine
• Synonyms: 2,3-dihydrobenzo[b]furan-5-carboxaldehyde O5-ethyloxime

Database IDs

• MDL Number: MFCD00113467
• PubChem SID: 162069921
• PubChem CID: 9582246

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3060927
• LogD (pH = 7.4): 2.3121362
• Log P: 2.312214
• Molar Refractivity: 55.4674 cm^3
• Polarizability: 20.80813 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true