Completing data — usually done within a minute
Basic information
- CAS
1115182-60-9- Standard SMILES
COc1ccc2c(c1)C(CCCN(C)C)c1ccccc1CO2- InChIKey
MIBWMPJCBQOBFP-UHFFFAOYSA-N- Molecular formula
- C20H25NO2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.18852904
Names & identifiers
- Preferred name
- 2-Methoxy-11(3-dimethylaminopropyl)-6,11-dihydrodibenzo[b,e]oxepin
- IUPAC
- 3-(2-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-N,N-dimethylpropan-1-amine
Names & synonyms
SCHEMBL2217095MIBWMPJCBQOBFP-UHFFFAOYSA-NDTXSID4011544362-methoxy-11(3-dimethylaminopropyl)-6,11-dihydrodibenzo[b,e]oxepin2-methoxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenzo[b,e]oxepinDibenz[b,e]oxepin-11-propanamine, 6,11-dihydro-2-methoxy-N,N-dimethyl-3-(2-Methoxy-6,11-dihydrodibenzo[b,e]oxepin-11-yl)-N,N-dimethylpropan-1-amine1115182-60-9
Database identifiers
- CAS
1115182-60-9- PubChem CID
- 67320463
- DTXSID
DTXSID401154436
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
Loading…