3-(5-ethylfuran-2-yl)morpholine

• ChemBase ID: 276876
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(oc(cc1)CC)C1NCCOC1
• Canonical SMILES: CCc1ccc(o1)C1COCCN1
• InChI: InChI=1S/C10H15NO2/c1-2-8-3-4-10(13-8)9-7-12-6-5-11-9/h3-4,9,11H,2,5-7H2,1H3
• InChIKey: NUZROGSTBLQPSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-ethylfuran-2-yl)morpholine
• IUPAC Traditional name: 3-(5-ethylfuran-2-yl)morpholine
• Synonyms: 3-(5-ethylfuran-2-yl)morpholine

Database IDs

• MDL Number: MFCD18699882
• PubChem SID: 164332786
• PubChem CID: 54594399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.017952118
• LogD (pH = 7.4): 1.0846516
• Log P: 1.1551917
• Molar Refractivity: 50.1153 cm^3
• Polarizability: 19.652998 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.354

Product Information

• Purity: 95%