[(4-ethoxyphenyl)methyl](methyl)amine

• ChemBase ID: 232947
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)CNC)OCC
• Canonical SMILES: CCOc1ccc(cc1)CNC
• InChI: InChI=1S/C10H15NO/c1-3-12-10-6-4-9(5-7-10)8-11-2/h4-7,11H,3,8H2,1-2H3
• InChIKey: XQYGQAVOILJHDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-ethoxyphenyl)methyl](methyl)amine
• Synonyms: N-(4-ethoxybenzyl)-N-methylamine

Database IDs

• CAS Number: 41690-86-2
• MDL Number: MFCD04622318
• PubChem SID: 164288857
• PubChem CID: 3856995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4542041
• LogD (pH = 7.4): -0.42892185
• Log P: 1.7307314
• Molar Refractivity: 50.5178 cm^3
• Polarizability: 19.91269 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 130°C
• Hydrophobicity(logP): 1.958

Product Information

• Purity: 95%