[(2,3-dimethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride

• ChemBase ID: 55679
• Molecular Formular: C14H26Cl2N2O2
• Molecular Mass: 325.27444
• Monoisotopic Mass: 324.13713344
• SMILES: c1(c(CNCCCN(C)C)cccc1OC)OC.Cl.Cl
• Canonical SMILES: COc1c(CNCCCN(C)C)cccc1OC.Cl.Cl
• InChI: InChI=1S/C14H24N2O2.2ClH/c1-16(2)10-6-9-15-11-12-7-5-8-13(17-3)14(12)18-4;;/h5,7-8,15H,6,9-11H2,1-4H3;2*1H
• InChIKey: RCWUIDUKYROKMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride
• Synonyms: N'-(2,3-Dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride; N1-(2,3-dimethoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD07109521
• PubChem SID: 162060442
• PubChem CID: 17293260

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.721865
• LogD (pH = 7.4): -1.2615851
• Log P: 1.2948564
• Molar Refractivity: 75.1169 cm^3
• Polarizability: 29.469658 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: 2 HCl