(2-aminoethyl)[(2,4-dimethoxyphenyl)methyl]amine dihydrochloride

• ChemBase ID: 275438
• Molecular Formular: C11H20Cl2N2O2
• Molecular Mass: 283.1947
• Monoisotopic Mass: 282.09018325
• SMILES: c1(c(ccc(c1)OC)CNCCN)OC.Cl.Cl
• Canonical SMILES: NCCNCc1ccc(cc1OC)OC.Cl.Cl
• InChI: InChI=1S/C11H18N2O2.2ClH/c1-14-10-4-3-9(8-13-6-5-12)11(7-10)15-2;;/h3-4,7,13H,5-6,8,12H2,1-2H3;2*1H
• InChIKey: MXDPIBGVQILPAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)[(2,4-dimethoxyphenyl)methyl]amine dihydrochloride
• IUPAC Traditional name: (2-aminoethyl)[(2,4-dimethoxyphenyl)methyl]amine dihydrochloride
• Synonyms: (2-aminoethyl)[(2,4-dimethoxyphenyl)methyl]amine dihydrochloride

Database IDs

• MDL Number: MFCD18917356
• PubChem SID: 164331348
• PubChem CID: 54593685

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.5872428
• LogD (pH = 7.4): -1.6387041
• Log P: 0.4192683
• Molar Refractivity: 60.1822 cm^3
• Polarizability: 23.936796 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230 - 232°C
• Hydrophobicity(logP): 1.0

Product Information

• Purity: 95%