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

• ChemBase ID: 263579
• Molecular Formular: C13H22Cl2N2O2
• Molecular Mass: 309.23198
• Monoisotopic Mass: 308.10583331
• SMILES: N1(CC(c2ccc(cc2)OC)N)CCOCC1.Cl.Cl
• Canonical SMILES: COc1ccc(cc1)C(CN1CCOCC1)N.Cl.Cl
• InChI: InChI=1S/C13H20N2O2.2ClH/c1-16-12-4-2-11(3-5-12)13(14)10-15-6-8-17-9-7-15;;/h2-5,13H,6-10,14H2,1H3;2*1H
• InChIKey: VVVAWSSKDRXIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196124
• PubChem SID: 164319489
• PubChem CID: 45792379

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1615243
• LogD (pH = 7.4): -0.7328165
• Log P: 0.80125415
• Molar Refractivity: 67.7584 cm^3
• Polarizability: 26.907696 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 - 254°C
• Hydrophobicity(logP): 1.082

Product Information

• Purity: 95%