Basic information
- Standard SMILES
CC1(C)COc2cccc(Oc3ccc(N)cn3)c21- InChIKey
RYJRMQDONIKJMV-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 6-[(3,3-Dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-3-pyridinamine
- IUPAC
- 6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]pyridin-3-amine
Names & synonyms
SCHEMBL9900170SCHEMBL30193589RYJRMQDONIKJMV-UHFFFAOYSA-NDB-1559026-[(2,3-Dihydro-3,3-dimethyl-4-benzofuranyl)oxy]-3-pyridinamine6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-3-pyridinamine1380697-58-4
Database identifiers
- PubChem CID
- 67958060
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
2 records
Compound notes
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