[2-(3-methoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 293460
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: COc1cc(CCNC)ccc1
• Canonical SMILES: CNCCc1cccc(c1)OC
• InChI: InChI=1S/C10H15NO/c1-11-7-6-9-4-3-5-10(8-9)12-2/h3-5,8,11H,6-7H2,1-2H3
• InChIKey: MCGDBHZRFQKLBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(3-methoxyphenyl)ethyl](methyl)amine
• Synonyms: 2-(3-Methoxyphenyl)-N-methylethanamine

Database IDs

• CAS Number: 33543-62-3
• MDL Number: MFCD00870495
• PubChem SID: 180678991
• PubChem CID: 118500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5597688
• LogD (pH = 7.4): -0.9099005
• Log P: 1.6625845
• Molar Refractivity: 50.5242 cm^3
• Polarizability: 19.836226 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%