methyl[(2,3,4-trimethoxyphenyl)methyl]amine

• ChemBase ID: 232946
• Molecular Formular: C11H17NO3
• Molecular Mass: 211.25758
• Monoisotopic Mass: 211.12084341
• SMILES: c1(c(c(ccc1OC)CNC)OC)OC
• Canonical SMILES: CNCc1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C11H17NO3/c1-12-7-8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6,12H,7H2,1-4H3
• InChIKey: UKXJEMBFGQCTOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2,3,4-trimethoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl[(2,3,4-trimethoxyphenyl)methyl]amine
• Synonyms: N-methyl-N-(2,3,4-trimethoxybenzyl)amine

Database IDs

• MDL Number: MFCD04622289
• PubChem SID: 164288856
• PubChem CID: 3856994

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9336865
• LogD (pH = 7.4): -0.40056175
• Log P: 1.0585809
• Molar Refractivity: 58.6956 cm^3
• Polarizability: 23.089869 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 130°C
• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%