1-(2-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 273132
• Molecular Formular: C13H22Cl2N2O
• Molecular Mass: 293.23258
• Monoisotopic Mass: 292.11091869
• SMILES: C(c1c(C)cccc1)(CN1CCOCC1)N.Cl.Cl
• Canonical SMILES: NC(c1ccccc1C)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C13H20N2O.2ClH/c1-11-4-2-3-5-12(11)13(14)10-15-6-8-16-9-7-15;;/h2-5,13H,6-10,14H2,1H3;2*1H
• InChIKey: CAQRELLALJIBNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(2-methylphenyl)-2-(morpholin-4-yl)ethanamine dihydrochloride
• Synonyms: 1-(2-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD18483272
• PubChem SID: 164329042
• PubChem CID: 53519412

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5310467
• LogD (pH = 7.4): -0.08120764
• Log P: 1.4723468
• Molar Refractivity: 66.3364 cm^3
• Polarizability: 26.171682 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 1.612

Product Information

• Purity: 95%