[(4-ethoxy-3-methoxyphenyl)methyl](methyl)amine

• ChemBase ID: 232945
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(ccc(c1)CNC)OCC)OC
• Canonical SMILES: CCOc1ccc(cc1OC)CNC
• InChI: InChI=1S/C11H17NO2/c1-4-14-10-6-5-9(8-12-2)7-11(10)13-3/h5-7,12H,4,8H2,1-3H3
• InChIKey: WJQQEUVDXNONEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxy-3-methoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-ethoxy-3-methoxyphenyl)methyl](methyl)amine
• Synonyms: N-(4-ethoxy-3-methoxybenzyl)-N-methylamine

Database IDs

• MDL Number: MFCD04622320
• PubChem SID: 164288855
• PubChem CID: 3856993

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5894612
• LogD (pH = 7.4): -0.44329536
• Log P: 1.57306
• Molar Refractivity: 56.981 cm^3
• Polarizability: 22.412249 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 19 - 21°C
• Hydrophobicity(logP): 1.697

Product Information

• Purity: 95%