2-ethyl-N-[(4-methoxyphenyl)methyl]aniline

• ChemBase ID: 299036
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: CCc1ccccc1NCc1ccc(cc1)OC
• Canonical SMILES: CCc1ccccc1NCc1ccc(cc1)OC
• InChI: InChI=1S/C16H19NO/c1-3-14-6-4-5-7-16(14)17-12-13-8-10-15(18-2)11-9-13/h4-11,17H,3,12H2,1-2H3
• InChIKey: PIQSFIWMIXYRNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-[(4-methoxyphenyl)methyl]aniline
• IUPAC Traditional name: 2-ethyl-N-[(4-methoxyphenyl)methyl]aniline
• Synonyms: 2-Ethyl-N-(4-methoxybenzyl)aniline

Database IDs

• MDL Number: MFCD11146146
• PubChem SID: 180684567
• PubChem CID: 28480224

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.962618
• LogD (pH = 7.4): 3.9707117
• Log P: 3.970816
• Molar Refractivity: 76.9698 cm^3
• Polarizability: 29.065395 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501

Product Information

• Purity: 97%