2-(4-fluoro-2-methylphenoxy)propan-1-amine

• ChemBase ID: 811430
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: NCC(C)Oc1c(cc(cc1)F)C
• Canonical SMILES: NCC(Oc1ccc(cc1C)F)C
• InChI: InChI=1S/C10H14FNO/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,6,12H2,1-2H3
• InChIKey: QDTBLXVJOWKMBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoro-2-methylphenoxy)propan-1-amine
• IUPAC Traditional name: 2-(4-fluoro-2-methylphenoxy)propan-1-amine
• Synonyms: 2-(4-FLUORO-2-METHYL-PHENOXY)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8768618
• LogD (pH = 7.4): 0.19389154
• Log P: 2.091289
• Molar Refractivity: 50.1474 cm^3
• Polarizability: 19.475584 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%