Basic information
- Standard SMILES
CSc1ccc(OCCNC(C)C)cc1.Cl- InChIKey
QEVRFNKVDWTIIN-UHFFFAOYSA-N- Molecular formula
- C12H20ClNOS
- Average molar mass
- 261.81 g/mol
- Monoisotopic mass
- 261.0954131
Names & identifiers
- Preferred name
- N-[2-[4-(Methylthio)phenoxy]ethyl]-2-propanamine hydrochloride
- IUPAC
- N-[2-(4-methylsulfanylphenoxy)ethyl]propan-2-amine;hydrochloride
Names & synonyms
SCHEMBL10409386QEVRFNKVDWTIIN-UHFFFAOYSA-NN-[2-[4-(Methylthio)phenoxy]ethyl]-2-propanamine hydrochloride
Database identifiers
- PubChem CID
- 14855259
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 156
Related reactions
1 records
Compound notes
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