[3-(dimethylamino)propyl][(3-ethoxy-4-propoxyphenyl)methyl]amine dihydrochloride

• ChemBase ID: 234578
• Molecular Formular: C17H32Cl2N2O2
• Molecular Mass: 367.35418
• Monoisotopic Mass: 366.18408363
• SMILES: c1(c(ccc(c1)CNCCCN(C)C)OCCC)OCC.Cl.Cl
• Canonical SMILES: CCCOc1ccc(cc1OCC)CNCCCN(C)C.Cl.Cl
• InChI: InChI=1S/C17H30N2O2.2ClH/c1-5-12-21-16-9-8-15(13-17(16)20-6-2)14-18-10-7-11-19(3)4;;/h8-9,13,18H,5-7,10-12,14H2,1-4H3;2*1H
• InChIKey: OAVCUNLTQCXWKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl][(3-ethoxy-4-propoxyphenyl)methyl]amine dihydrochloride
• IUPAC Traditional name: [3-(dimethylamino)propyl][(3-ethoxy-4-propoxyphenyl)methyl]amine dihydrochloride
• Synonyms: N'-(3-Ethoxy-4-propoxy-benzyl)-N,N-dimethyl-propane-1,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD07287724
• PubChem SID: 164290488
• PubChem CID: 16244917

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7526758
• LogD (pH = 7.4): -0.3045433
• Log P: 2.5309947
• Molar Refractivity: 89.1381 cm^3
• Polarizability: 35.003296 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.42

Product Information

• Purity: 95%
• Salt Data: 2HCl