1-(3-fluoro-4-phenoxyphenyl)ethan-1-amine

• ChemBase ID: 260925
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: c1(c(cc(cc1)C(N)C)F)Oc1ccccc1
• Canonical SMILES: Fc1cc(ccc1Oc1ccccc1)C(N)C
• InChI: InChI=1S/C14H14FNO/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h2-10H,16H2,1H3
• InChIKey: NQRARIZCGBWPGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluoro-4-phenoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 1-(3-fluoro-4-phenoxyphenyl)ethanamine
• Synonyms: 1-(3-fluoro-4-phenoxyphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD11137327
• PubChem SID: 164316835
• PubChem CID: 43189203

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.16638929
• LogD (pH = 7.4): 1.0696393
• Log P: 3.1585784
• Molar Refractivity: 65.4074 cm^3
• Polarizability: 25.508211 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.444

Product Information

• Purity: 95%