2-benzylmorpholine

• ChemBase ID: 118455
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1CC(OCC1)Cc1ccccc1
• Canonical SMILES: N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2
• InChIKey: YZFCMGWCEXUGFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzylmorpholine
• IUPAC Traditional name: 2-benzylmorpholine
• Synonyms: 2-benzylmorpholine

Database IDs

• MDL Number: MFCD09055007
• PubChem SID: 162102573
• PubChem CID: 125510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.034449
• LogD (pH = 7.4): 0.67609376
• Log P: 1.6615225
• Molar Refractivity: 52.8057 cm^3
• Polarizability: 20.96059 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.462
• Hydrophobicity(logP): 1.679

Product Information

• Purity: 95%; 95+%