Basic information
- Standard SMILES
CC(C)Nc1cc(C(C)C)c2c(c1)C(C)(C)CO2- InChIKey
XSEHBTPPSMJJCT-UHFFFAOYSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
Names & identifiers
- Preferred name
- 3,3-Dimethyl-7-isopropyl-5-(isopropyl)amino-2,3-dihydro-benzofuran
- IUPAC
- 3,3-dimethyl-N,7-di(propan-2-yl)-2H-1-benzofuran-5-amine
Names & synonyms
SCHEMBL7562111XSEHBTPPSMJJCT-UHFFFAOYSA-N3,3-Dimethyl-7-isopropyl-5-(isopropyl)amino-2,3-dihydro-benzofuran
Database identifiers
- PubChem CID
- 18699178
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
3 records
Compound notes
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