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

• ChemBase ID: 125396
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: COc1cccc(c1)CC(N)C
• Canonical SMILES: COc1cccc(c1)CC(N)C
• InChI: InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
• InChIKey: VEJWNIYARKAHFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 17862-85-0
• PubChem SID: 162219746
• PubChem CID: 152234
• CHEMBL: 16247
• Chemspider ID: 134180
• Wikipedia Title: 3-Methoxyamphetamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3716608
• 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

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral