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

• ChemBase ID: 125275
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(c1ccccc1CC(N)C)C
• Canonical SMILES: COc1ccccc1CC(N)C
• InChI: InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
• InChIKey: VBAHFEPKESUPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)propan-2-amine
• IUPAC Traditional name: 2-methoxyamphetamine
• Synonyms: 2-Methoxyamphetamine; 1-(2-methoxyphenyl)propan-2-amine

Database IDs

• CAS Number: 15402-84-3
• MDL Number: MFCD00869527
• PubChem SID: 162219625
• PubChem CID: 159755
• CHEMBL: 16451
• Chemspider ID: 140465
• Wikipedia Title: 2-Methoxyamphetamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3697842
• LogD (pH = 7.4): -0.77214295
• Log P: 1.6465793
• Molar Refractivity: 50.1684 cm^3
• Polarizability: 19.836973 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.661

Pharmacology Properties

• Admin Routes: Oral

Product Information

• Purity: 95%; 98%