[4-(2-methoxyphenoxy)phenyl]methanamine hydrochloride

• ChemBase ID: 76381
• Molecular Formular: C14H16ClNO2
• Molecular Mass: 265.73534
• Monoisotopic Mass: 265.08695644
• SMILES: O(c1ccccc1OC)c1ccc(cc1)CN.Cl
• Canonical SMILES: COc1ccccc1Oc1ccc(cc1)CN.Cl
• InChI: InChI=1S/C14H15NO2.ClH/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12;/h2-9H,10,15H2,1H3;1H
• InChIKey: LGVPTQJKRPUICR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-methoxyphenoxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(2-methoxyphenoxy)phenyl]methanamine hydrochloride
• Synonyms: 4-(2-Methoxyphenoxy)benzylamine hydrochloride

Database IDs

• MDL Number: MFCD03840155
• PubChem SID: 162041286
• PubChem CID: 17749864

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5439301
• LogD (pH = 7.4): 0.41350332
• Log P: 2.4416301
• Molar Refractivity: 67.2354 cm^3
• Polarizability: 26.553196 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant