7-ethoxy-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Basic information
- CAS
1156993-27-9- Standard SMILES
CCNC1CCCOc2ccc(OCC)cc21- InChIKey
QRWPZVNIWGYCKZ-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 7-ethoxy-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
- IUPAC
- 7-ethoxy-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Names & synonyms
7-ethoxy-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amineDTXSID501200755AKOS0058409261156993-27-9
Database identifiers
- CAS
1156993-27-9- PubChem CID
- 43512296
- DTXSID
DTXSID501200755
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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