{[2-(2-methoxyphenyl)phenyl]methyl}(methyl)amine

• ChemBase ID: 297590
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: CNCc1ccccc1c1ccccc1OC
• Canonical SMILES: CNCc1ccccc1c1ccccc1OC
• InChI: InChI=1S/C15H17NO/c1-16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17-2/h3-10,16H,11H2,1-2H3
• InChIKey: OIHJWTIPKKLRDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-methoxyphenyl)phenyl]methyl}(methyl)amine
• IUPAC Traditional name: {[2-(2-methoxyphenyl)phenyl]methyl}(methyl)amine
• Synonyms: 1-(2'-Methoxybiphenyl-2-yl)-N-methylmethylamine; 1-(2'-甲氧基联苯)-N-甲基甲基胺

Database IDs

• CAS Number: 902836-95-7
• MDL Number: MFCD08064250
• PubChem SID: 180683121
• PubChem CID: 24208819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19501129
• LogD (pH = 7.4): 0.54705095
• Log P: 3.0211487
• Molar Refractivity: 70.9054 cm^3
• Polarizability: 29.135727 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%