(2-fluoro-4-methoxyphenyl)methanamine

• ChemBase ID: 812248
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: C(N)c1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)CN
• InChI: InChI=1S/C8H10FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3
• InChIKey: YLFBKZFZNVESRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-4-methoxyphenyl)methanamine
• IUPAC Traditional name: (2-fluoro-4-methoxyphenyl)methanamine
• Synonyms: (2-FLUORO-4-METHOXYPHENYL)METHANAMINE

Database IDs

• CAS Number: 937783-85-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8239685
• LogD (pH = 7.4): -0.51949495
• Log P: 1.0840449
• Molar Refractivity: 41.211 cm^3
• Polarizability: 15.873705 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%