2-(2-chlorophenyl)-5-methylmorpholine hydrochloride

• ChemBase ID: 273420
• Molecular Formular: C11H15Cl2NO
• Molecular Mass: 248.1489
• Monoisotopic Mass: 247.05306947
• SMILES: c1(C2OCC(NC2)C)c(Cl)cccc1.Cl
• Canonical SMILES: CC1COC(CN1)c1ccccc1Cl.Cl
• InChI: InChI=1S/C11H14ClNO.ClH/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12;/h2-5,8,11,13H,6-7H2,1H3;1H
• InChIKey: WIKBBUOIWYFACR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-5-methylmorpholine hydrochloride
• IUPAC Traditional name: 2-(2-chlorophenyl)-5-methylmorpholine hydrochloride
• Synonyms: 2-(2-chlorophenyl)-5-methylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD18483339
• PubChem SID: 164329330
• PubChem CID: 54592837

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.096342124
• LogD (pH = 7.4): 1.6380501
• Log P: 2.393481
• Molar Refractivity: 57.2743 cm^3
• Polarizability: 22.885962 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): 2.382

Product Information

• Purity: 95%