4-[(3-fluorophenyl)methoxy]-2-methylaniline

• ChemBase ID: 269707
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: c1(c(ccc(c1)OCc1cc(F)ccc1)N)C
• Canonical SMILES: Fc1cccc(c1)COc1ccc(c(c1)C)N
• InChI: InChI=1S/C14H14FNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
• InChIKey: ACFUFZGWPVCVLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-fluorophenyl)methoxy]-2-methylaniline
• IUPAC Traditional name: 4-[(3-fluorophenyl)methoxy]-2-methylaniline
• Synonyms: 4-[(3-fluorophenyl)methoxy]-2-methylaniline

Database IDs

• MDL Number: MFCD09046328
• PubChem SID: 164325617
• PubChem CID: 16773960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3055613
• LogD (pH = 7.4): 3.3664107
• Log P: 3.367245
• Molar Refractivity: 67.0918 cm^3
• Polarizability: 24.987322 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.364

Product Information

• Purity: 95%