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

• ChemBase ID: 127379
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1c2c(cc(c1CC(C)N)OC)CC(O2)C
• Canonical SMILES: COc1cc2CC(Oc2cc1CC(N)C)C
• InChI: InChI=1S/C13H19NO2/c1-8(14)4-10-7-13-11(5-9(2)16-13)6-12(10)15-3/h6-9H,4-5,14H2,1-3H3
• InChIKey: XBHKBTCXRYPZMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
• IUPAC Traditional name: F-2 (psychedelic)
• Synonyms: F-2 (psychedelic)

Database IDs

• PubChem SID: 162221700
• PubChem CID: 13056773
• CHEMBL: 102877
• Chemspider ID: 21106309
• Wikipedia Title: F-2_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0705954
• LogD (pH = 7.4): -0.4655097
• Log P: 1.9453715
• Molar Refractivity: 64.36 cm^3
• Polarizability: 25.210915 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true