Benzo(b)thiophene-3-methylamine, N-benzyl-N-(2-chloroethyl)-5-methyl-, hydrochloride
Basic information
- CAS
16662-25-2- Standard SMILES
Cc1ccc2scc(CN(CCCl)Cc3ccccc3)c2c1.Cl- InChIKey
JBRULFJRDSPQLP-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2NS
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.0771762
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, N-benzyl-N-(2-chloroethyl)-5-methyl-, hydrochloride
- IUPAC
- N-benzyl-2-chloro-N-[(5-methyl-1-benzothiophen-3-yl)methyl]ethanamine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, N-benzyl-N-(2-chloroethyl)-5-methyl-, hydrochlorideN-Benzyl-N-(2-chloroethyl)-5-methylbenzo(b)thiophene-3-methylamine hydrochloride16662-25-2DTXSID70168141RefChem:326271DTXCID9090632N-Benzyl-2-chloro-N-[(5-methyl-1-benzothiophen-3-yl)methyl]ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16662-25-2- PubChem CID
- 204593
- DTXSID
DTXSID70168141
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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