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

• ChemBase ID: 258168
• Molecular Formular: C10H16ClNO3
• Molecular Mass: 233.69194
• Monoisotopic Mass: 233.08187106
• SMILES: c1(c(OC)cccc1OC)OCCN.Cl
• Canonical SMILES: NCCOc1c(OC)cccc1OC.Cl
• InChI: InChI=1S/C10H15NO3.ClH/c1-12-8-4-3-5-9(13-2)10(8)14-7-6-11;/h3-5H,6-7,11H2,1-2H3;1H
• InChIKey: GIOOBTIDHYCEOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-1,3-dimethoxybenzene hydrochloride
• IUPAC Traditional name: 2-(2-aminoethoxy)-1,3-dimethoxybenzene hydrochloride
• Synonyms: 2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD11505631
• PubChem SID: 164314078
• PubChem CID: 24198765

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2583294
• LogD (pH = 7.4): -1.152589
• Log P: 0.7032482
• Molar Refractivity: 53.3974 cm^3
• Polarizability: 21.255121 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 0.643

Product Information

• Purity: 95%