2-(2-methylphenyl)morpholine

• ChemBase ID: 279379
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(C2OCCNC2)c(C)cccc1
• Canonical SMILES: Cc1ccccc1C1CNCCO1
• InChI: InChI=1S/C11H15NO/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11/h2-5,11-12H,6-8H2,1H3
• InChIKey: JYEGQCCVQLJHSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)morpholine
• IUPAC Traditional name: 2-(2-methylphenyl)morpholine
• Synonyms: 2-(2-methylphenyl)morpholine

Database IDs

• MDL Number: MFCD09901447
• PubChem SID: 164335289
• PubChem CID: 20156924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6590227
• LogD (pH = 7.4): 1.0737412
• Log P: 1.8862827
• Molar Refractivity: 53.0919 cm^3
• Polarizability: 20.956322 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.599

Product Information

• Purity: 95%