[3-(3,5-dimethoxyphenoxy)propyl](methyl)amine hydrochloride

• ChemBase ID: 236610
• Molecular Formular: C12H20ClNO3
• Molecular Mass: 261.7451
• Monoisotopic Mass: 261.11317119
• SMILES: c1c(cc(cc1OCCCNC)OC)OC.Cl
• Canonical SMILES: CNCCCOc1cc(OC)cc(c1)OC.Cl
• InChI: InChI=1S/C12H19NO3.ClH/c1-13-5-4-6-16-12-8-10(14-2)7-11(9-12)15-3;/h7-9,13H,4-6H2,1-3H3;1H
• InChIKey: FFQYCWGABWKCOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(3,5-dimethoxyphenoxy)propyl](methyl)amine hydrochloride
• IUPAC Traditional name: [3-(3,5-dimethoxyphenoxy)propyl](methyl)amine hydrochloride
• Synonyms: [3-(3,5-dimethoxyphenoxy)propyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22196611
• PubChem SID: 164292520
• PubChem CID: 71755744

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0277407
• LogD (pH = 7.4): -1.3980105
• Log P: 1.1957884
• Molar Refractivity: 63.0374 cm^3
• Polarizability: 24.931393 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 2.011

Product Information

• Purity: 95%