2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine

• ChemBase ID: 247969
• Molecular Formular: C12H15Cl2NO
• Molecular Mass: 260.1596
• Monoisotopic Mass: 259.05306947
• SMILES: N1(Cc2c(Cl)cccc2)CC(OCC1)CCl
• Canonical SMILES: ClCC1OCCN(C1)Cc1ccccc1Cl
• InChI: InChI=1S/C12H15Cl2NO/c13-7-11-9-15(5-6-16-11)8-10-3-1-2-4-12(10)14/h1-4,11H,5-9H2
• InChIKey: GMRPTPFVUNCUFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
• IUPAC Traditional name: 2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
• Synonyms: 4-(2-chlorobenzyl)-2-(chloromethyl)morpholine

Database IDs

• MDL Number: MFCD06655496
• PubChem SID: 164303879
• PubChem CID: 4962062

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.535268
• LogD (pH = 7.4): 3.013187
• Log P: 3.0244436
• Molar Refractivity: 67.4935 cm^3
• Polarizability: 26.5649 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.334

Product Information

• Purity: 95%