2-(3-fluoro-4-phenoxyphenyl)ethan-1-amine

• ChemBase ID: 236684
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: c1(c(cc(cc1)CCN)F)Oc1ccccc1
• Canonical SMILES: NCCc1ccc(c(c1)F)Oc1ccccc1
• InChI: InChI=1S/C14H14FNO/c15-13-10-11(8-9-16)6-7-14(13)17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
• InChIKey: OLCFOYXWABUICK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoro-4-phenoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(3-fluoro-4-phenoxyphenyl)ethanamine
• Synonyms: 2-(3-fluoro-4-phenoxyphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD08450481
• PubChem SID: 164292594
• PubChem CID: 55240466

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.02210259
• LogD (pH = 7.4): 0.7458199
• Log P: 3.0306647
• Molar Refractivity: 65.7436 cm^3
• Polarizability: 25.433867 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.474

Product Information

• Purity: 95%