[3-(4-methoxyphenoxy)phenyl]methanamine hydrochloride

• ChemBase ID: 76303
• Molecular Formular: C14H16ClNO2
• Molecular Mass: 265.73534
• Monoisotopic Mass: 265.08695644
• SMILES: O(c1cccc(c1)CN)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)Oc1cccc(c1)CN.Cl
• InChI: InChI=1S/C14H15NO2.ClH/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15;/h2-9H,10,15H2,1H3;1H
• InChIKey: GNMNITVEVSYONZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-methoxyphenoxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [3-(4-methoxyphenoxy)phenyl]methanamine hydrochloride
• Synonyms: 3-(Aminomethyl)-4-methoxydiphenyl ether hydrochloride; 4-[(3-(Aminomethyl)phenoxy]anisole hydrochloride; 3-(4-Methoxyphenoxy)benzylamine hydrochloride

Database IDs

• CAS Number: 154108-33-5
• MDL Number: MFCD03840098
• PubChem SID: 162041209
• PubChem CID: 17749852

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5349891
• LogD (pH = 7.4): 0.4849847
• Log P: 2.4416301
• Molar Refractivity: 67.2354 cm^3
• Polarizability: 26.55094 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive