[(3,4-dimethoxyphenyl)methyl](2-methoxyethyl)amine

• ChemBase ID: 122369
• Molecular Formular: C12H19NO3
• Molecular Mass: 225.28416
• Monoisotopic Mass: 225.13649347
• SMILES: c1(c(ccc(c1)CNCCOC)OC)OC
• Canonical SMILES: COCCNCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C12H19NO3/c1-14-7-6-13-9-10-4-5-11(15-2)12(8-10)16-3/h4-5,8,13H,6-7,9H2,1-3H3
• InChIKey: AWNHHXVLWRCHAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl](2-methoxyethyl)amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl](2-methoxyethyl)amine
• Synonyms: N-(3,4-dimethoxybenzyl)-2-methoxyethanamine

Database IDs

• PubChem SID: 162216722
• PubChem CID: 4433677

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8296043
• LogD (pH = 7.4): -0.30438453
• Log P: 1.1692766
• Molar Refractivity: 63.2759 cm^3
• Polarizability: 24.944351 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true