Basic information
- CAS
2989-24-4- Standard SMILES
CCN(CCO)CC(C)Oc1cc(C)c(Cl)cc1C(C)C.Cl- InChIKey
WZDGBDNOWUDXRA-UHFFFAOYSA-N- Molecular formula
- C17H29Cl2NO2
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 349.1575346
Names & identifiers
- Preferred name
- Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-alpha,5-dimethyl-2-isopropyl-, hydrochloride
- IUPAC
- 2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl-ethylamino]ethanol;hydrochloride
Names & synonyms
WV 00522989-24-4Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-alpha,5-dimethyl-2-isopropyl-, hydrochloride4-Chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-alpha,5-dimethyl-2-isopropylphenetole HClp-Cymene, 2-chloro-5-(1-(N-(2-chloroethyl)-N-ethylamino)-2-propoxy)-, hydrochlorideRefChem:368829DTXSID909523472-[{2-[4-Chloro-5-methyl-2-(propan-2-yl)phenoxy]propyl}(ethyl)amino]ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
2989-24-4- PubChem CID
- 200962
- DTXSID
DTXSID90952347
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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