1-(2-fluorophenyl)-1-methoxypropan-2-amine hydrochloride

• ChemBase ID: 246748
• Molecular Formular: C10H15ClFNO
• Molecular Mass: 219.6836032
• Monoisotopic Mass: 219.08262001
• SMILES: c1(C(C(N)C)OC)c(F)cccc1.Cl
• Canonical SMILES: COC(c1ccccc1F)C(N)C.Cl
• InChI: InChI=1S/C10H14FNO.ClH/c1-7(12)10(13-2)8-5-3-4-6-9(8)11;/h3-7,10H,12H2,1-2H3;1H
• InChIKey: BVPLGDXSJIWWJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-1-methoxypropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(2-fluorophenyl)-1-methoxypropan-2-amine hydrochloride
• Synonyms: 1-(2-fluorophenyl)-1-methoxypropan-2-amine hydrochloride

Database IDs

• PubChem SID: 164302658
• PubChem CID: 71758067

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2670192
• LogD (pH = 7.4): -0.059131943
• Log P: 1.6710827
• Molar Refractivity: 49.8803 cm^3
• Polarizability: 19.559835 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 1.578

Product Information

• Purity: 95%