Basic information
- CAS
17895-87-3- Standard SMILES
CN(C)CCOC1c2ccccc2CCc2ncccc21- InChIKey
WYFVZZWLJALQLV-UHFFFAOYSA-N- Molecular formula
- C18H22N2O
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.17321333
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(2-(dimethylamino)ethoxy)-
- IUPAC
- 2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yloxy)-N,N-dimethylethanamine
- English name
- 5-[2-(Dimethylamino)ethoxy]-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridine
- Molecular weight
- 0
Names & synonyms
17895-87-310,11-Dihydro-5-(2-(dimethylamino)ethoxy)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(2-(dimethylamino)ethoxy)-RefChem:3052925-[2-(Dimethylamino)ethoxy]-10,11-dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridineDTXSID309391322-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yloxy)-N,N-dimethylethanamine2-[(10,11-Dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)oxy]-N,N-dimethylethan-1-amine
Database identifiers
- CAS
17895-87-3- PubChem CID
- 28823
- DTXSID
DTXSID30939132- Nikkaji
- J41.276G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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