[(2,3-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine dihydrochloride

• ChemBase ID: 122610
• Molecular Formular: C15H26Cl2N2O3
• Molecular Mass: 353.28454
• Monoisotopic Mass: 352.13204806
• SMILES: c1(c(CNCCN2CCOCC2)cccc1OC)OC.Cl.Cl
• Canonical SMILES: COc1c(CNCCN2CCOCC2)cccc1OC.Cl.Cl
• InChI: InChI=1S/C15H24N2O3.2ClH/c1-18-14-5-3-4-13(15(14)19-2)12-16-6-7-17-8-10-20-11-9-17;;/h3-5,16H,6-12H2,1-2H3;2*1H
• InChIKey: NCXQLAUISFEBPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl][2-(morpholin-4-yl)ethyl]amine dihydrochloride
• Synonyms: N-(2,3-dimethoxybenzyl)-2-morpholinoethanamine dihydrochloride

Database IDs

• PubChem SID: 162216963
• PubChem CID: 6461314

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9153242
• LogD (pH = 7.4): -0.26026157
• Log P: 1.0163962
• Molar Refractivity: 79.326 cm^3
• Polarizability: 31.267525 Å^3
• Polar Surface Area: 42.96 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl