[2-fluoro-6-(4-methoxyphenoxy)phenyl]methanamine

• ChemBase ID: 95669
• Molecular Formular: C14H14FNO2
• Molecular Mass: 247.2648632
• Monoisotopic Mass: 247.10085691
• SMILES: O(c1c(c(ccc1)F)CN)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1cccc(c1CN)F
• InChI: InChI=1S/C14H14FNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3
• InChIKey: RMFFAIVQBHBAQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-6-(4-methoxyphenoxy)phenyl]methanamine
• IUPAC Traditional name: [2-fluoro-6-(4-methoxyphenoxy)phenyl]methanamine
• Synonyms: 2-fluoro-6-(4-methoxyphenoxy)benzylamine

Database IDs

• MDL Number: MFCD01570053
• PubChem SID: 162082318
• PubChem CID: 2780201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.20878819
• LogD (pH = 7.4): 1.3041819
• Log P: 2.584332
• Molar Refractivity: 67.4518 cm^3
• Polarizability: 26.18716 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true