1-Pyrrolidineethanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-
Basic information
- CAS
149338-18-1- Standard SMILES
O=[N+]([O-])c1sc2ccc(Cl)cc2c1NCCN1CCCC1- InChIKey
PMIYFFUBIVIPRC-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O2S
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0651756
Names & identifiers
- Preferred name
- 1-Pyrrolidineethanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-
- IUPAC
- 5-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-amine
Names & synonyms
BRN 58258221-Pyrrolidineethanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-149338-18-1N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-1-pyrrolidineethanamineDTXSID40164236RefChem:235237DTXCID40867275-CHLORO-2-NITRO-N-[2-(PYRROLIDIN-1-YL)ETHYL]-1-BENZOTHIOPHEN-3-AMINE
Database identifiers
- CAS
149338-18-1- PubChem CID
- 3073485
- DTXSID
DTXSID40164236- Nikkaji
- J514.203B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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