(4-fluorophenyl)(4-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 263492
• Molecular Formular: C14H15ClFNO
• Molecular Mass: 267.7264032
• Monoisotopic Mass: 267.08262001
• SMILES: C(c1ccc(cc1)OC)(c1ccc(cc1)F)N.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)F)N.Cl
• InChI: InChI=1S/C14H14FNO.ClH/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10;/h2-9,14H,16H2,1H3;1H
• InChIKey: ZFTQZMCYYHIXMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(4-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-fluorophenyl)(4-methoxyphenyl)methanamine hydrochloride
• Synonyms: (4-fluorophenyl)(4-methoxyphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD13196093
• PubChem SID: 164319402
• PubChem CID: 45792347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.032183107
• LogD (pH = 7.4): 1.2923841
• Log P: 2.8682852
• Molar Refractivity: 65.4938 cm^3
• Polarizability: 25.447031 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): 2.504

Product Information

• Purity: 95%