[4-(4-fluorophenoxy)-3-methylphenyl]methanamine hydrochloride

• ChemBase ID: 265479
• Molecular Formular: C14H15ClFNO
• Molecular Mass: 267.7264032
• Monoisotopic Mass: 267.08262001
• SMILES: c1(c(cc(cc1)CN)C)Oc1ccc(F)cc1.Cl
• Canonical SMILES: NCc1ccc(c(c1)C)Oc1ccc(cc1)F.Cl
• InChI: InChI=1S/C14H14FNO.ClH/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13;/h2-8H,9,16H2,1H3;1H
• InChIKey: TWZYQYDIAFWQJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-fluorophenoxy)-3-methylphenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(4-fluorophenoxy)-3-methylphenyl]methanamine hydrochloride
• Synonyms: [4-(4-fluorophenoxy)-3-methylphenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD14705765
• PubChem SID: 164321389
• PubChem CID: 47002417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.26474315
• LogD (pH = 7.4): 1.1810113
• Log P: 3.2554247
• Molar Refractivity: 66.0298 cm^3
• Polarizability: 25.431913 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 3.834

Product Information

• Purity: 95%