(2-fluoro-6-methoxyphenyl)methanamine

• ChemBase ID: 68580
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: NCc1c(cccc1OC)F
• Canonical SMILES: COc1cccc(c1CN)F
• InChI: InChI=1S/C8H10FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
• InChIKey: JCXMQSDLDAJYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-6-methoxyphenyl)methanamine
• IUPAC Traditional name: (2-fluoro-6-methoxyphenyl)methanamine
• Synonyms: (2-Fluoro-6-methoxyphenyl)methylamine; 2-Fluoro-6-methoxybenzylamine

Database IDs

• CAS Number: 150517-75-2
• MDL Number: MFCD00042292
• PubChem SID: 162034311
• PubChem CID: 40786958

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6312261
• LogD (pH = 7.4): -0.043450013
• Log P: 1.0840449
• Molar Refractivity: 41.211 cm^3
• Polarizability: 15.8739395 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-77°C/3.2mm

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%