Basic information
- Standard SMILES
CC(C)(C)CNc1noc2ccc(-c3cccc(CNC4CC4)c3)cc12- InChIKey
JTXYQRYHEYXTCY-UHFFFAOYSA-N- Molecular formula
- C22H27N3O
- Average molar mass
- 349.5 g/mol
Names & identifiers
- Preferred name
- 5-(3-((cyclopropylamino)methyl)phenyl)-N-neopentylbenzo[d]isoxazol-3-amine
- IUPAC
- 5-[3-[(cyclopropylamino)methyl]phenyl]-N-(2,2-dimethylpropyl)-1,2-benzoxazol-3-amine
Names & synonyms
SCHEMBL2197979JTXYQRYHEYXTCY-UHFFFAOYSA-N5-(3-((cyclopropylamino)methyl)phenyl)-N-neopentylbenzo[d]isoxazol-3-amine
Database identifiers
- PubChem CID
- 11965795
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Related reactions
4 records
Compound notes
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