[(3-fluorophenyl)methyl][(4-fluorophenyl)methyl]amine

• ChemBase ID: 299318
• Molecular Formular: C14H13F2N
• Molecular Mass: 233.2565264
• Monoisotopic Mass: 233.10160586
• SMILES: c1cc(cc(c1)F)CNCc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)CNCc1cccc(c1)F
• InChI: InChI=1S/C14H13F2N/c15-13-6-4-11(5-7-13)9-17-10-12-2-1-3-14(16)8-12/h1-8,17H,9-10H2
• InChIKey: DWGVNAFDKNWLHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluorophenyl)methyl][(4-fluorophenyl)methyl]amine
• IUPAC Traditional name: [(3-fluorophenyl)methyl][(4-fluorophenyl)methyl]amine
• Synonyms: N-(3-Fluorobenzyl)-4-fluorobenzylamine

Database IDs

• CAS Number: 1019602-14-2
• PubChem SID: 180684849
• PubChem CID: 28467511

CALCULATED PROPERTIES

• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.64312905
• LogD (pH = 7.4): 2.26275
• Log P: 3.5414717
• Molar Refractivity: 64.3514 cm^3
• Polarizability: 24.428526 Å^3

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%