2-(2,5-dimethoxy-4-propylphenyl)ethan-1-amine

• ChemBase ID: 125319
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: COc1cc(CCC)c(cc1CCN)OC
• Canonical SMILES: CCCc1cc(OC)c(cc1OC)CCN
• InChI: InChI=1S/C13H21NO2/c1-4-5-10-8-13(16-3)11(6-7-14)9-12(10)15-2/h8-9H,4-7,14H2,1-3H3
• InChIKey: PZJOKFZGPTVNBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxy-4-propylphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(2,5-dimethoxy-4-propylphenyl)ethanamine
• Synonyms: 2C-P; 2,5-dimethoxy-4-propylphenethylamine

Database IDs

• CAS Number: 207740-22-5
• PubChem SID: 162219669
• PubChem CID: 44350080
• CHEMBL: 339136
• Chemspider ID: 21106226
• Wikipedia Title: 2C-P

CALCULATED PROPERTIES

• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5301855
• LogD (pH = 7.4): 0.23919035
• Log P: 2.4748917
• Molar Refractivity: 66.456 cm^3
• Polarizability: 25.945238 Å^3

PROPERTIES

Physical Property

• Solubility: 7-9 mg/ml (20 °C) in water
• Melting Point: 207-209 °C (hydrochloride)

Product Information

• Purity: 97%