1-(2-aminoethoxy)-3,5-dimethoxybenzene hydrochloride

• ChemBase ID: 239358
• Molecular Formular: C10H16ClNO3
• Molecular Mass: 233.69194
• Monoisotopic Mass: 233.08187106
• SMILES: c1c(cc(cc1OC)OCCN)OC.Cl
• Canonical SMILES: NCCOc1cc(OC)cc(c1)OC.Cl
• InChI: InChI=1S/C10H15NO3.ClH/c1-12-8-5-9(13-2)7-10(6-8)14-4-3-11;/h5-7H,3-4,11H2,1-2H3;1H
• InChIKey: XXEWPOJAQLRGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-3,5-dimethoxybenzene hydrochloride
• IUPAC Traditional name: 1-(2-aminoethoxy)-3,5-dimethoxybenzene hydrochloride
• Synonyms: 1-(2-aminoethoxy)-3,5-dimethoxybenzene hydrochloride

Database IDs

• MDL Number: MFCD22378727
• PubChem SID: 164295268
• PubChem CID: 71393047

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2583494
• LogD (pH = 7.4): -1.1527106
• Log P: 0.7032482
• Molar Refractivity: 53.3974 cm^3
• Polarizability: 21.25215 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.343

Product Information

• Purity: 95%