N-[(2-fluorophenyl)methyl]-3-methylaniline

• ChemBase ID: 299266
• Molecular Formular: C14H14FN
• Molecular Mass: 215.2660632
• Monoisotopic Mass: 215.11102767
• SMILES: Cc1cccc(c1)NCc1ccccc1F
• Canonical SMILES: Cc1cccc(c1)NCc1ccccc1F
• InChI: InChI=1S/C14H14FN/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h2-9,16H,10H2,1H3
• InChIKey: SEZCZGSSAUOHFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-3-methylaniline
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-3-methylaniline
• Synonyms: N-(2-Fluorobenzyl)-3-methylaniline

Database IDs

• CAS Number: 1019587-91-7
• MDL Number: MFCD11138348
• PubChem SID: 180684797
• PubChem CID: 28422338

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8152442
• LogD (pH = 7.4): 3.8264754
• Log P: 3.8266203
• Molar Refractivity: 66.122 cm^3
• Polarizability: 24.319023 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• 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%