[1-(2-methoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 255620
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(OC)cccc1)C(NC)C
• Canonical SMILES: CNC(c1ccccc1OC)C
• InChI: InChI=1S/C10H15NO/c1-8(11-2)9-6-4-5-7-10(9)12-3/h4-8,11H,1-3H3
• InChIKey: IQVNCCSGFPMYOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(2-methoxyphenyl)ethyl](methyl)amine
• Synonyms: 1-(2-methoxyphenyl)-N-methylethanamine; N-[1-(2-methoxyphenyl)ethyl]-N-methylamine

Database IDs

• CAS Number: 921074-81-9
• MDL Number: MFCD01123285
• PubChem SID: 164311530
• PubChem CID: 16776469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3046798
• LogD (pH = 7.4): 0.05887218
• Log P: 1.7904984
• Molar Refractivity: 50.188 cm^3
• Polarizability: 19.91267 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.738

Product Information

• Purity: 95%