[2-(3,4-dimethoxyphenyl)ethyl](2-methylpropyl)amine

• ChemBase ID: 275623
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: c1(c(ccc(c1)CCNCC(C)C)OC)OC
• Canonical SMILES: COc1cc(CCNCC(C)C)ccc1OC
• InChI: InChI=1S/C14H23NO2/c1-11(2)10-15-8-7-12-5-6-13(16-3)14(9-12)17-4/h5-6,9,11,15H,7-8,10H2,1-4H3
• InChIKey: RKPHYIIQNBDAMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,4-dimethoxyphenyl)ethyl](2-methylpropyl)amine
• IUPAC Traditional name: [2-(3,4-dimethoxyphenyl)ethyl](2-methylpropyl)amine
• Synonyms: [2-(3,4-dimethoxyphenyl)ethyl](2-methylpropyl)amine

Database IDs

• MDL Number: MFCD11141373
• PubChem SID: 164331533
• PubChem CID: 12411009

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.48403516
• LogD (pH = 7.4): -0.07469769
• Log P: 2.7492166
• Molar Refractivity: 70.7316 cm^3
• Polarizability: 27.869154 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.694

Product Information

• Purity: 95%