Basic information
- CAS
75842-92-1- Standard SMILES
Cc1ccc(C(OCCN2CCCN(C)CC2)c2ccccc2)cc1- InChIKey
CTDVPTSYTXVMPY-UHFFFAOYSA-N- Molecular formula
- C22H30N2O
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.23581359
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-4-methyl-1-(2-((alpha-(p-tolyl)benzyl)oxy)ethyl)-
- IUPAC
- 1-methyl-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1,4-diazepane
Names & synonyms
75842-92-14-Methyl-1-(2-((alpha-(p-tolyl)benzyl)oxy)ethyl)hexahydro-1H-1,4-diazepine1H-1,4-DIAZEPINE, HEXAHYDRO-4-METHYL-1-(2-((alpha-(p-TOLYL)BENZYL)OXY)ETHYL)-RefChem:237155DTXSID409972281-Methyl-4-{2-[(4-methylphenyl)(phenyl)methoxy]ethyl}-1,4-diazepane
Database identifiers
- CAS
75842-92-1- PubChem CID
- 53366
- DTXSID
DTXSID40997228
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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