(3-fluoro-5-methoxyphenyl)methanamine

• ChemBase ID: 246004
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1c(cc(cc1OC)CN)F
• Canonical SMILES: NCc1cc(OC)cc(c1)F
• InChI: InChI=1S/C8H10FNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3
• InChIKey: TUXDABFLRWGPSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-5-methoxyphenyl)methanamine
• IUPAC Traditional name: (3-fluoro-5-methoxyphenyl)methanamine
• Synonyms: (3-fluoro-5-methoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD04116363
• PubChem SID: 164301914
• PubChem CID: 24721203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.873115
• LogD (pH = 7.4): -0.74567413
• Log P: 1.0840449
• Molar Refractivity: 41.211 cm^3
• Polarizability: 15.873864 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.296

Product Information

• Purity: 95%