1-(3-methoxyphenyl)propan-2-amine hydrochloride

• ChemBase ID: 274037
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: c1(cc(OC)ccc1)CC(N)C.Cl
• Canonical SMILES: COc1cccc(c1)CC(N)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11)6-9-4-3-5-10(7-9)12-2;/h3-5,7-8H,6,11H2,1-2H3;1H
• InChIKey: DZZOPEUEYCVTQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 3-methoxyamphetamine hydrochloride
• Synonyms: 1-(3-methoxyphenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01708058
• PubChem SID: 164329947
• PubChem CID: 3029807

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.8112142
• Log P: 1.6465793
• Molar Refractivity: 50.1684 cm^3
• Polarizability: 19.83606 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3716608

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C
• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%