[(2,4-dimethoxyphenyl)methyl](methyl)amine

• ChemBase ID: 232950
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(c(ccc(c1)OC)CNC)OC
• Canonical SMILES: CNCc1ccc(cc1OC)OC
• InChI: InChI=1S/C10H15NO2/c1-11-7-8-4-5-9(12-2)6-10(8)13-3/h4-6,11H,7H2,1-3H3
• InChIKey: ULVUWTHGZHDWMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dimethoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(2,4-dimethoxyphenyl)methyl](methyl)amine
• Synonyms: N-(2,4-dimethoxybenzyl)-N-methylamine

Database IDs

• CAS Number: 102503-23-1
• MDL Number: MFCD04633426
• PubChem SID: 164288860
• PubChem CID: 2416536

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8235916
• LogD (pH = 7.4): -0.3548725
• Log P: 1.2162521
• Molar Refractivity: 52.2324 cm^3
• Polarizability: 20.567747 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%