1-(5-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine

• ChemBase ID: 127380
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: O(c1cc2c(OC(C2)(C)C)cc1CC(N)C)C
• Canonical SMILES: COc1cc2CC(Oc2cc1CC(N)C)(C)C
• InChI: InChI=1S/C14H21NO2/c1-9(15)5-10-6-13-11(7-12(10)16-4)8-14(2,3)17-13/h6-7,9H,5,8,15H2,1-4H3
• InChIKey: ZUGGTXPIKSRFHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
• IUPAC Traditional name: F-22 (psychedelic)
• Synonyms: 6-(2-Aminopropyl)-5-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran; F-22 (psychedelic)

Database IDs

• CAS Number: 952016-51-2
• PubChem SID: 162221701
• PubChem CID: 16051705
• Chemspider ID: 13180083
• Wikipedia Title: F-22_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7899873
• LogD (pH = 7.4): -0.18431751
• Log P: 2.225948
• Molar Refractivity: 68.9982 cm^3
• Polarizability: 27.05396 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true