2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine

• ChemBase ID: 276878
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(C2NCC(OC2C)C)oc(cc1)C
• Canonical SMILES: CC1CNC(C(O1)C)c1ccc(o1)C
• InChI: InChI=1S/C11H17NO2/c1-7-4-5-10(14-7)11-9(3)13-8(2)6-12-11/h4-5,8-9,11-12H,6H2,1-3H3
• InChIKey: HXYAVPAYEXEPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine
• IUPAC Traditional name: 2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine
• Synonyms: 2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine

Database IDs

• MDL Number: MFCD19382321
• PubChem SID: 164332788
• PubChem CID: 54594400

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.030847548
• LogD (pH = 7.4): 1.3230655
• Log P: 1.4658192
• Molar Refractivity: 54.4289 cm^3
• Polarizability: 21.492727 Å^3
• Polar Surface Area: 34.4 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.863

Product Information

• Purity: 95%