Basic information
- CAS
80154-69-4- Standard SMILES
CC(C)NC(Cc1cccc(Cl)c1)c1cccs1.Cl- InChIKey
JYTXGXGSTCCMNH-UHFFFAOYSA-N- Molecular formula
- C15H19Cl2NS
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 315.0615262
Names & identifiers
- Preferred name
- 2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
- IUPAC
- N-[2-(3-chlorophenyl)-1-thiophen-2-ylethyl]propan-2-amine;hydrochloride
Names & synonyms
alpha-(m-Chlorobenzyl)-N-isopropyl-2-thenylamine hydrochloride80154-69-42-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochlorideRefChem:267190DTXSID501001012N-[2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethyl]propan-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
80154-69-4- PubChem CID
- 3061998
- DTXSID
DTXSID501001012
Properties
Computed structural properties
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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