1-(2-aminoethoxy)-3-fluorobenzene

• ChemBase ID: 263051
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1c(F)cccc1OCCN
• Canonical SMILES: NCCOc1cccc(c1)F
• InChI: InChI=1S/C8H10FNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5,10H2
• InChIKey: UTSSEDORJLCBMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-3-fluorobenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-3-fluorobenzene
• Synonyms: 1-(2-aminoethoxy)-3-fluorobenzene

Database IDs

• MDL Number: MFCD06247658
• PubChem SID: 164318961
• PubChem CID: 14245330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8003051
• LogD (pH = 7.4): -0.6946665
• Log P: 1.1612927
• Molar Refractivity: 40.6874 cm^3
• Polarizability: 15.878335 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.545

Product Information

• Purity: 95%