[(4-methoxy-3-methylphenyl)methyl](methyl)amine

• ChemBase ID: 270084
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)CNC)OC)C
• Canonical SMILES: CNCc1ccc(c(c1)C)OC
• InChI: InChI=1S/C10H15NO/c1-8-6-9(7-11-2)4-5-10(8)12-3/h4-6,11H,7H2,1-3H3
• InChIKey: ZGUHEHRINLSHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxy-3-methylphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(4-methoxy-3-methylphenyl)methyl](methyl)amine
• Synonyms: [(4-methoxy-3-methylphenyl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12147543
• PubChem SID: 164325994
• PubChem CID: 22660955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3025799
• LogD (pH = 7.4): -0.3106879
• Log P: 1.8873447
• Molar Refractivity: 50.8104 cm^3
• Polarizability: 19.83397 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.928

Product Information

• Purity: 95%