[4-fluoro-3-(2-methoxyphenoxymethyl)phenyl]methanamine hydrochloride

• ChemBase ID: 260940
• Molecular Formular: C15H17ClFNO2
• Molecular Mass: 297.7523832
• Monoisotopic Mass: 297.09318469
• SMILES: c1(c(ccc(c1)CN)F)COc1c(OC)cccc1.Cl
• Canonical SMILES: NCc1ccc(c(c1)COc1ccccc1OC)F.Cl
• InChI: InChI=1S/C15H16FNO2.ClH/c1-18-14-4-2-3-5-15(14)19-10-12-8-11(9-17)6-7-13(12)16;/h2-8H,9-10,17H2,1H3;1H
• InChIKey: GAFMMLQLRWEDIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-fluoro-3-(2-methoxyphenoxymethyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-fluoro-3-(2-methoxyphenoxymethyl)phenyl]methanamine hydrochloride
• Synonyms: [4-fluoro-3-(2-methoxyphenoxymethyl)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD12197264
• PubChem SID: 164316850
• PubChem CID: 45791663

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.32591933
• LogD (pH = 7.4): 0.69310856
• Log P: 2.6508467
• Molar Refractivity: 72.2868 cm^3
• Polarizability: 27.967976 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.663

Product Information

• Purity: 95%