5-benzyl-2-methylmorpholine

• ChemBase ID: 286266
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1C(COC(C1)C)Cc1ccccc1
• Canonical SMILES: CC1OCC(NC1)Cc1ccccc1
• InChI: InChI=1S/C12H17NO/c1-10-8-13-12(9-14-10)7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
• InChIKey: OLDFUGLZCZSWQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-2-methylmorpholine
• IUPAC Traditional name: 5-benzyl-2-methylmorpholine
• Synonyms: 5-benzyl-2-methylmorpholine

Database IDs

• MDL Number: MFCD18304582
• PubChem SID: 180671797
• PubChem CID: 63261422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6944445
• LogD (pH = 7.4): 0.9921866
• Log P: 2.0780976
• Molar Refractivity: 57.2245 cm^3
• Polarizability: 22.807016 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.198

Product Information

• Purity: 95%