Basic information
- CAS
55311-24-5- Standard SMILES
CCOc1cccc2c1OCN(CCc1ccccc1)C2- InChIKey
XMACWWZLGIDHJB-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- 2H-1,3-Benzoxazine, 3,4-dihydro-8-ethoxy-3-(2-phenylethyl)-
- IUPAC
- 8-ethoxy-3-(2-phenylethyl)-2,4-dihydro-1,3-benzoxazine
Names & synonyms
BRN 1129790SF-6455311-24-52H-1,3-BENZOXAZINE, 3,4-DIHYDRO-8-ETHOXY-3-(2-PHENYLETHYL)-8-Ethoxy-3-phenethyl-3,4-dihydro-2H-1,3-benzoxazineDTXSID90203866RefChem:267782DTXCID20126357SCHEMBL117123328-Ethoxy-3-(2-phenylethyl)-3,4-dihydro-2H-1,3-benzoxazine
Database identifiers
- CAS
55311-24-5- PubChem CID
- 41402
- DTXSID
DTXSID90203866
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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