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

• ChemBase ID: 234320
• Molecular Formular: C16H30Cl2N2O2
• Molecular Mass: 353.3276
• Monoisotopic Mass: 352.16843357
• SMILES: c1(c(ccc(c1)CNCCCN(C)C)OCCC)OC.Cl.Cl
• Canonical SMILES: CCCOc1ccc(cc1OC)CNCCCN(C)C.Cl.Cl
• InChI: InChI=1S/C16H28N2O2.2ClH/c1-5-11-20-15-8-7-14(12-16(15)19-4)13-17-9-6-10-18(2)3;;/h7-8,12,17H,5-6,9-11,13H2,1-4H3;2*1H
• InChIKey: FRKQKJUMMZVMHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl][(3-methoxy-4-propoxyphenyl)methyl]amine dihydrochloride
• IUPAC Traditional name: [3-(dimethylamino)propyl][(3-methoxy-4-propoxyphenyl)methyl]amine dihydrochloride
• Synonyms: N'-(3-methoxy-4-propoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride

Database IDs

• MDL Number: MFCD07287566
• PubChem SID: 164290230
• PubChem CID: 16242600

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.110108
• LogD (pH = 7.4): -0.66234684
• Log P: 2.1741867
• Molar Refractivity: 84.3895 cm^3
• Polarizability: 33.15848 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.891

Product Information

• Purity: 95%
• Salt Data: 2HCl