1-(2-aminopropoxy)-2-methoxybenzene hydrochloride

• ChemBase ID: 262067
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: O(c1c(OC)cccc1)CC(N)C.Cl
• Canonical SMILES: COc1ccccc1OCC(N)C.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-8(11)7-13-10-6-4-3-5-9(10)12-2;/h3-6,8H,7,11H2,1-2H3;1H
• InChIKey: KEUZNEIKULLANT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropoxy)-2-methoxybenzene hydrochloride
• IUPAC Traditional name: 1-(2-aminopropoxy)-2-methoxybenzene hydrochloride
• Synonyms: 1-(2-aminopropoxy)-2-methoxybenzene hydrochloride

Database IDs

• MDL Number: MFCD12913063
• PubChem SID: 164317977
• PubChem CID: 45791966

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7128845
• LogD (pH = 7.4): -0.79405624
• Log P: 1.2774945
• Molar Refractivity: 51.353 cm^3
• Polarizability: 20.57371 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): 1.31

Product Information

• Purity: 95%