4-fluoro-2-methoxy-N-methylaniline

• ChemBase ID: 99865
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: Fc1cc(c(cc1)NC)OC
• Canonical SMILES: COc1cc(F)ccc1NC
• InChI: InChI=1S/C8H10FNO/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,10H,1-2H3
• InChIKey: XFBVWHXMTJVYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-methoxy-N-methylaniline
• IUPAC Traditional name: 4-fluoro-2-methoxy-N-methylaniline
• Synonyms: 5-Fluoro-2-(methylamino)anisole; 4-Fluoro-2-methoxy-N-methylaniline 96%; 4-fluoro-2-methoxy-N-methylaniline

Database IDs

• CAS Number: 941294-13-9
• MDL Number: MFCD09475904
• PubChem SID: 162086112
• PubChem CID: 26986091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2792696
• LogD (pH = 7.4): 1.4287707
• Log P: 1.4310546
• Molar Refractivity: 42.9314 cm^3
• Polarizability: 15.50728 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.112

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95%; 95+%