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

• ChemBase ID: 125233
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: O(c1cc(c(OC)cc1CC(N)C)CCC)C
• Canonical SMILES: CCCc1cc(OC)c(cc1OC)CC(N)C
• InChI: InChI=1S/C14H23NO2/c1-5-6-11-8-14(17-4)12(7-10(2)15)9-13(11)16-3/h8-10H,5-7,15H2,1-4H3
• InChIKey: UEEAUFJYLUJWQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
• IUPAC Traditional name: 2,5-dimeo-4-propylamphetamine
• Synonyms: 2,5-dimethoxy-4-propylamphetamine; 2,5-Dimethoxy-4-propylamphetamine

Database IDs

• CAS Number: 63779-88-4
• PubChem SID: 162219583
• PubChem CID: 542051
• CHEMBL: 8569
• Chemspider ID: 472021
• Wikipedia Title: 2,5-Dimethoxy-4-propylamphetamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.124760926
• LogD (pH = 7.4): 0.47544548
• Log P: 2.8914666
• Molar Refractivity: 70.8748 cm^3
• Polarizability: 27.789305 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true