1-(2-aminopropoxy)-4-fluorobenzene

• ChemBase ID: 262070
• Molecular Formular: C9H12FNO
• Molecular Mass: 169.1960832
• Monoisotopic Mass: 169.09029223
• SMILES: O(c1ccc(F)cc1)CC(N)C
• Canonical SMILES: CC(COc1ccc(cc1)F)N
• InChI: InChI=1S/C9H12FNO/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3
• InChIKey: SHHSHEWVMNXSKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropoxy)-4-fluorobenzene
• IUPAC Traditional name: 1-(2-aminopropoxy)-4-fluorobenzene
• Synonyms: 1-(2-aminopropoxy)-4-fluorobenzene

Database IDs

• MDL Number: MFCD06247711
• PubChem SID: 164317980
• PubChem CID: 16795051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4125175
• LogD (pH = 7.4): -0.4937419
• Log P: 1.5778677
• Molar Refractivity: 45.1062 cm^3
• Polarizability: 17.713263 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.854

Product Information

• Purity: 95%