2-(1-Isopropylimino)ethyl-4-(2-hydroxy-3-isopropylaminopropoxy)benzofuran
Basic information
- CAS
39552-05-1- Standard SMILES
CC(=NC(C)C)c1cc2c(OCC(O)CNC(C)C)cccc2o1- InChIKey
AOPSHWJHVZBSED-UHFFFAOYSA-N- Molecular formula
- C19H28N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20999276
Names & identifiers
- Preferred name
- 2-(1-Isopropylimino)ethyl-4-(2-hydroxy-3-isopropylaminopropoxy)benzofuran
- IUPAC
- 1-[[2-(C-methyl-N-propan-2-ylcarbonimidoyl)-1-benzofuran-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- 1-[(1-Methylethyl)amino]-3-[[2-[1-[(1-methylethyl)imino]ethyl]benzofuran-4-yl]oxy]-2-propanol
- Molecular formula
- C19H28N2O3
- Molecular weight
- 332.44
Names & synonyms
39552-05-12-(1-Isopropylimino)ethyl-4-(2-hydroxy-3-isopropylaminopropoxy)benzofuran2-Propanol, 1-((1-methylethyl)amino)-3-((2-(1-((1-methylethyl)imino)ethyl)-4-benzofuranyl)oxy)-SCHEMBL11751680SCHEMBL117516871-[(1-Methylethyl)amino]-3-[[2-[1-[(1-methylethyl)imino]ethyl]benzofuran-4-yl]oxy]-2-propanol
Database identifiers
- CAS
39552-05-1- PubChem CID
- 217741
- Nikkaji
- J153.519F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 469.238 · 469.238±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.12 · 1.120±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.813 · 13.813±0.20(predicted)
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Compound notes
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