N-{2-[(7-chloro-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]ethyl}-N,N-dimethylamine
Basic information
- Standard SMILES
CN(C)CCOC1c2cc(Cl)ccc2CCc2ncccc21- InChIKey
VPUNWXDOMVCRAB-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.134241
Names & identifiers
- Preferred name
- N-{2-[(7-chloro-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]ethyl}-N,N-dimethylamine
- IUPAC
- 2-[(14-chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)oxy]-N,N-dimethylethanamine
Names & synonyms
DTXSID401384275AM-814/410915372-[(14-Chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)oxy]-N,N-dimethylethanamineN-{2-[(7-chloro-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]ethyl}-N,N-dimethylamine
Database identifiers
- PubChem CID
- 37349
- DTXSID
DTXSID401384275
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
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Related reactions
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Compound notes
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