2-(morpholin-4-yl)-1-phenylethan-1-amine dihydrochloride

• ChemBase ID: 262254
• Molecular Formular: C12H20Cl2N2O
• Molecular Mass: 279.206
• Monoisotopic Mass: 278.09526863
• SMILES: N1(CC(c2ccccc2)N)CCOCC1.Cl.Cl
• Canonical SMILES: NC(c1ccccc1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C12H18N2O.2ClH/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14;;/h1-5,12H,6-10,13H2;2*1H
• InChIKey: XIOOOBPYJXAVGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-phenylethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(morpholin-4-yl)-1-phenylethanamine dihydrochloride
• Synonyms: 2-(morpholin-4-yl)-1-phenylethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD12913108
• PubChem SID: 164318164
• PubChem CID: 45792009

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0366406
• LogD (pH = 7.4): -0.58583784
• Log P: 0.95892537
• Molar Refractivity: 61.2952 cm^3
• Polarizability: 24.405348 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 276 - 278°C
• Hydrophobicity(logP): 1.163

Product Information

• Purity: 95%