Basic information
- CAS
75842-90-9- Standard SMILES
CN1CCCN(CCOC(c2ccccc2)c2ccc(F)cc2)CC1- InChIKey
QKSYLNJEVWJBBN-UHFFFAOYSA-N- Molecular formula
- C21H27FN2O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.21074165
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-1-(2-((p-fluoro-alpha-phenylbenzyl)oxy)ethyl)-4-methyl-
- IUPAC
- 1-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]-4-methyl-1,4-diazepane
Names & synonyms
1-(2-((p-Fluoro-alpha-phenylbenzyl)oxy)ethyl)-4-methylhexahydro-1H-1,4-diazepine75842-90-91H-1,4-Diazepine, hexahydro-1-(2-((p-fluoro-alpha-phenylbenzyl)oxy)ethyl)-4-methyl-RefChem:237150DTXSID809972271-{2-[(4-Fluorophenyl)(phenyl)methoxy]ethyl}-4-methyl-1,4-diazepane
Database identifiers
- CAS
75842-90-9- PubChem CID
- 53364
- DTXSID
DTXSID80997227
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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