[2-amino-2-(3,4-dimethoxyphenyl)ethyl]dimethylamine dihydrochloride

• ChemBase ID: 262249
• Molecular Formular: C12H22Cl2N2O2
• Molecular Mass: 297.22128
• Monoisotopic Mass: 296.10583331
• SMILES: c1(cc(c(cc1)OC)OC)C(CN(C)C)N.Cl.Cl
• Canonical SMILES: COc1cc(ccc1OC)C(CN(C)C)N.Cl.Cl
• InChI: InChI=1S/C12H20N2O2.2ClH/c1-14(2)8-10(13)9-5-6-11(15-3)12(7-9)16-4;;/h5-7,10H,8,13H2,1-4H3;2*1H
• InChIKey: SKZQGQZOENLQHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-2-(3,4-dimethoxyphenyl)ethyl]dimethylamine dihydrochloride
• IUPAC Traditional name: [2-amino-2-(3,4-dimethoxyphenyl)ethyl]dimethylamine dihydrochloride
• Synonyms: [2-amino-2-(3,4-dimethoxyphenyl)ethyl]dimethylamine dihydrochloride

Database IDs

• MDL Number: MFCD12913106
• PubChem SID: 164318159
• PubChem CID: 45792007

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1380274
• LogD (pH = 7.4): -0.85902405
• Log P: 0.8620833
• Molar Refractivity: 65.1471 cm^3
• Polarizability: 25.780817 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.823

Product Information

• Purity: 95%