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

• ChemBase ID: 76287
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: O(c1ccccc1CN)c1ccc(cc1)C.Cl
• Canonical SMILES: NCc1ccccc1Oc1ccc(cc1)C.Cl
• InChI: InChI=1S/C14H15NO.ClH/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15;/h2-9H,10,15H2,1H3;1H
• InChIKey: XMVXIOJPNLJZRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03840021
• PubChem SID: 162041193
• PubChem CID: 17749845

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.178493
• LogD (pH = 7.4): 1.4005908
• Log P: 3.1127229
• Molar Refractivity: 65.8134 cm^3
• Polarizability: 25.833435 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true