N-[(2,5-difluorophenyl)methyl]aniline

• ChemBase ID: 276222
• Molecular Formular: C13H11F2N
• Molecular Mass: 219.2299464
• Monoisotopic Mass: 219.0859558
• SMILES: c1(c(ccc(c1)F)F)CNc1ccccc1
• Canonical SMILES: Fc1ccc(c(c1)CNc1ccccc1)F
• InChI: InChI=1S/C13H11F2N/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-8,16H,9H2
• InChIKey: DPYKIPWWUAZAST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-difluorophenyl)methyl]aniline
• IUPAC Traditional name: N-[(2,5-difluorophenyl)methyl]aniline
• Synonyms: N-[(2,5-difluorophenyl)methyl]aniline

Database IDs

• MDL Number: MFCD11639633
• PubChem SID: 164332132
• PubChem CID: 43312511

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4471264
• LogD (pH = 7.4): 3.4557893
• Log P: 3.455901
• Molar Refractivity: 61.2972 cm^3
• Polarizability: 22.217485 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.375

Product Information

• Purity: 95%