3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine

• ChemBase ID: 276879
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(C2NCC(OC2C)C)oc(cc1)CC
• Canonical SMILES: CCc1ccc(o1)C1NCC(OC1C)C
• InChI: InChI=1S/C12H19NO2/c1-4-10-5-6-11(15-10)12-9(3)14-8(2)7-13-12/h5-6,8-9,12-13H,4,7H2,1-3H3
• InChIKey: ZKMFNBKTKXOQST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine
• IUPAC Traditional name: 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine
• Synonyms: 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine

Database IDs

• MDL Number: MFCD19382322
• PubChem SID: 164332789
• PubChem CID: 54594401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.49867487
• LogD (pH = 7.4): 1.8476366
• Log P: 1.9883417
• Molar Refractivity: 58.9529 cm^3
• Polarizability: 23.332361 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.392

Product Information

• Purity: 95%