Ethanol, 2-(benzyl((5-bromobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
Basic information
- CAS
16584-13-7- Standard SMILES
Cl.OCCN(Cc1ccccc1)Cc1csc2ccc(Br)cc12- InChIKey
GGPSMJQFDXQXAB-UHFFFAOYSA-N- Molecular formula
- C18H19BrClNOS
- Average molar mass
- 412.8 g/mol
- Monoisotopic mass
- 411.00593
Names & identifiers
- Preferred name
- Ethanol, 2-(benzyl((5-bromobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
- IUPAC
- 2-[benzyl-[(5-bromo-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
Names & synonyms
Ethanol, 2-(benzyl((5-bromobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride16584-13-7DTXSID601680392-(Benzyl((5-bromobenzo(b)thien-3-yl)methyl)amino)ethanol hydrochlorideEthanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)phenylmethyl)amino-, hydrochlorideRefChem:340885DTXCID60905302-{Benzyl[(5-bromo-1-benzothiophen-3-yl)methyl]amino}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
16584-13-7- PubChem CID
- 204560
- DTXSID
DTXSID60168039
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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