4-(2-fluorophenoxymethyl)benzene-1-carboximidamide hydrochloride

• ChemBase ID: 265203
• Molecular Formular: C14H14ClFN2O
• Molecular Mass: 280.7251632
• Monoisotopic Mass: 280.07786898
• SMILES: C(=N)(c1ccc(COc2c(F)cccc2)cc1)N.Cl
• Canonical SMILES: Fc1ccccc1OCc1ccc(cc1)C(=N)N.Cl
• InChI: InChI=1S/C14H13FN2O.ClH/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17;/h1-8H,9H2,(H3,16,17);1H
• InChIKey: SZDJRGXBXBSFSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxymethyl)benzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(2-fluorophenoxymethyl)benzenecarboximidamide hydrochloride
• Synonyms: 4-(2-fluorophenoxymethyl)benzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705703
• PubChem SID: 164321113
• PubChem CID: 47002346

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1878795
• LogD (pH = 7.4): 0.19720553
• Log P: 2.603218
• Molar Refractivity: 79.0227 cm^3
• Polarizability: 25.778622 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 2.415

Product Information

• Purity: 95%