[(2-ethoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 260759
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1(c(OCC)cccc1)CNC.Cl
• Canonical SMILES: CNCc1ccccc1OCC.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-3-12-10-7-5-4-6-9(10)8-11-2;/h4-7,11H,3,8H2,1-2H3;1H
• InChIKey: KGSRLTKRBBVLAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-ethoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2-ethoxyphenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07106802
• PubChem SID: 164316669
• PubChem CID: 17290689

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3383423
• LogD (pH = 7.4): 0.08000927
• Log P: 1.7307314
• Molar Refractivity: 50.5178 cm^3
• Polarizability: 19.91294 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.958

Product Information

• Purity: 95%