[1-(4-methoxyphenyl)-2-phenylethyl](methyl)amine

• ChemBase ID: 114639
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: C(c1ccc(cc1)OC)(Cc1ccccc1)NC
• Canonical SMILES: CNC(c1ccc(cc1)OC)Cc1ccccc1
• InChI: InChI=1S/C16H19NO/c1-17-16(12-13-6-4-3-5-7-13)14-8-10-15(18-2)11-9-14/h3-11,16-17H,12H2,1-2H3
• InChIKey: OSBRASOCYMAZJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)-2-phenylethyl](methyl)amine
• IUPAC Traditional name: [1-(4-methoxyphenyl)-2-phenylethyl](methyl)amine
• Synonyms: [1-(4-methoxyphenyl)-2-phenylethyl]methylamine; 1-(4-Methoxyphenyl)-N-methyl-2-phenylethylamine; 1-(4-甲氧基苯基)-N-甲基-2-苯基乙基胺

Database IDs

• CAS Number: 93027-02-2
• MDL Number: MFCD00025823; MFCD08060947
• PubChem SID: 162100017
• PubChem CID: 296069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24230316
• LogD (pH = 7.4): 1.1151431
• Log P: 3.4468248
• Molar Refractivity: 74.807 cm^3
• Polarizability: 29.467836 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.64

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: 95+%