5-methyl-2-phenylmorpholine

• ChemBase ID: 269044
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: O1C(CNC(C1)C)c1ccccc1
• Canonical SMILES: CC1NCC(OC1)c1ccccc1
• InChI: InChI=1S/C11H15NO/c1-9-8-13-11(7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
• InChIKey: LQHGEOIBMBXJGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-phenylmorpholine
• IUPAC Traditional name: 5-methyl-2-phenylmorpholine
• Synonyms: 5-methyl-2-phenylmorpholine

Database IDs

• MDL Number: MFCD11652994
• PubChem SID: 164324954
• PubChem CID: 12945120

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81871784
• LogD (pH = 7.4): 0.90820974
• Log P: 1.7894363
• Molar Refractivity: 52.4695 cm^3
• Polarizability: 21.035585 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.669

Product Information

• Purity: 95%