Basic information
- CAS
891-23-6- Standard SMILES
CCN(CC)CCc1cc(-c2ccccc2)no1- InChIKey
RLNDNSDACULHTE-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- N,N-Diethyl-3-phenyl-5-isoxazoleethanamine
- IUPAC
- N,N-diethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethanamine
Names & synonyms
N,N-Diethyl-3-phenyl-5-isoxazoleethanamine891-23-6DTXSID901267080N,N-Diethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethan-1-amine
Database identifiers
- CAS
891-23-6- PubChem CID
- 13798
- DTXSID
DTXSID901267080
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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