1-[(1-aminobutan-2-yl)oxy]-2-fluorobenzene

• ChemBase ID: 286679
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(OC(CN)CC)c(F)cccc1
• Canonical SMILES: CCC(Oc1ccccc1F)CN
• InChI: InChI=1S/C10H14FNO/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3
• InChIKey: QVAGGNDTYUYINE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-aminobutan-2-yl)oxy]-2-fluorobenzene
• IUPAC Traditional name: 1-[(1-aminobutan-2-yl)oxy]-2-fluorobenzene
• Synonyms: 1-[(1-aminobutan-2-yl)oxy]-2-fluorobenzene

Database IDs

• MDL Number: MFCD06247649
• PubChem SID: 180672210
• PubChem CID: 61697694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.86660516
• LogD (pH = 7.4): 0.2105543
• Log P: 2.1003902
• Molar Refractivity: 49.6302 cm^3
• Polarizability: 19.550673 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.183

Product Information

• Purity: 95%