[2-(2,3-dimethylphenoxy)ethyl](methyl)amine hydrochloride

• ChemBase ID: 15326
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: c1c(OCCNC)c(c(cc1)C)C.Cl
• Canonical SMILES: CNCCOc1cccc(c1C)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-9-5-4-6-11(10(9)2)13-8-7-12-3;/h4-6,12H,7-8H2,1-3H3;1H
• InChIKey: WUVYKNPFXRHSSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,3-dimethylphenoxy)ethyl](methyl)amine hydrochloride
• IUPAC Traditional name: [2-(2,3-dimethylphenoxy)ethyl](methyl)amine hydrochloride
• Synonyms: N-[2-(2,3-Dimethylphenoxy)ethyl]-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD08728056
• PubChem SID: 160978633
• PubChem CID: 17176674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6987469
• LogD (pH = 7.4): 0.37544686
• Log P: 2.478014
• Molar Refractivity: 55.328 cm^3
• Polarizability: 21.604954 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false