Dibenzo(a,e)cycloheptatrien-5-ol, 1-(diethylamino)methyl-2-methoxy-
Basic information
- CAS
42981-88-4- Standard SMILES
CCN(CC)Cc1c(OC)ccc2c1C=Cc1ccccc1C2O- InChIKey
RZTROXDJYTXGSW-UHFFFAOYSA-N- Molecular formula
- C21H25NO2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.18852904
Names & identifiers
- Preferred name
- Dibenzo(a,e)cycloheptatrien-5-ol, 1-(diethylamino)methyl-2-methoxy-
- IUPAC
- 7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
- English name
- 1-(Diethylamino)methyl-2-methoxy-5H-dibenzo[a,d]cyclohepten-5-ol
- Molecular formula
- C21H25NO2
- Molecular weight
- 323.43
Names & synonyms
BRN 216108842981-88-41-(Diethylamino)methyl-2-methoxydibenzo(a,e)cycloheptatrien-5-olDibenzo(a,e)cycloheptatrien-5-ol, 1-(diethylamino)methyl-2-methoxy-RefChem:337054DTXSID109628271-(Diethylamino)methyl-2-methoxy-5H-dibenzo[a,d]cyclohepten-5-ol1-[(diethylamino)methyl]-2-methoxy-5H-dibenzo[a,d][7]annulen-5-ol5H-Dibenzo[a,d]cyclohepten-5-ol, 1-[(diethylamino)methyl]-2-methoxy-
Database identifiers
- CAS
42981-88-4- PubChem CID
- 206153
- DTXSID
DTXSID10962827- Nikkaji
- J72.794F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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