1-(4-fluorophenyl)-1-methoxypropan-2-amine hydrochloride

• ChemBase ID: 246019
• Molecular Formular: C10H15ClFNO
• Molecular Mass: 219.6836032
• Monoisotopic Mass: 219.08262001
• SMILES: c1(C(C(N)C)OC)ccc(cc1)F.Cl
• Canonical SMILES: COC(c1ccc(cc1)F)C(N)C.Cl
• InChI: InChI=1S/C10H14FNO.ClH/c1-7(12)10(13-2)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H
• InChIKey: XADRANRZZGBWID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-1-methoxypropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(4-fluorophenyl)-1-methoxypropan-2-amine hydrochloride
• Synonyms: 1-(4-fluorophenyl)-1-methoxypropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01708098
• PubChem SID: 164301929
• PubChem CID: 3046421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2886972
• LogD (pH = 7.4): -0.17396286
• Log P: 1.6710827
• Molar Refractivity: 49.8803 cm^3
• Polarizability: 19.560047 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.578

Product Information

• Purity: 95%