Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-5-fluoro-, hydrochloride
Basic information
- CAS
17512-43-5- Standard SMILES
CC(C)(C)N(CCCl)Cc1csc2ccc(F)cc12.Cl- InChIKey
HSOJTSVQGMFUHB-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2FNS
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 335.0677544
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-5-fluoro-, hydrochloride
- IUPAC
- N-(2-chloroethyl)-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]-2-methylpropan-2-amine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-5-fluoro-, hydrochloride17512-43-5N-tert-Butyl-N-(2-chloroethyl)-5-fluorobenzo(b)thiophene-3-methylamine hydrochlorideBenzo(b)thiophene-3-methanamine, N-(2-chloroethyl)-N-(1,1-dimethylethyl)-5-fluoro-, HClDTXSID30169937RefChem:326275DTXCID3092428N-(2-Chloroethyl)-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]-2-methylpropan-2-amine--hydrogen chloride (1/1)N-(2-chloroethyl)-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]-2-methylpropan-2-amine;hydrochloride
Database identifiers
- CAS
17512-43-5- PubChem CID
- 205138
- DTXSID
DTXSID30169937
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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