Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride
Basic information
- CAS
16793-62-7- Standard SMILES
CCN(CCCl)CCOc1cc(C)c(Cl)cc1C(C)C.Cl- InChIKey
RNASKTABFAMYOA-UHFFFAOYSA-N- Molecular formula
- C16H26Cl3NO
- Average molar mass
- 354.7 g/mol
- Monoisotopic mass
- 353.107998
Names & identifiers
- Preferred name
- Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride
- IUPAC
- N-(2-chloroethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine;hydrochloride
Names & synonyms
WV 781Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride16793-62-7DTXSID60168438p-Cymene, 2-chloro-5-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, hydrochloride4-Chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methylphenetole hydrochlorideRefChem:368828DTXCID90909292-Chloro-N-(2-(4-chloro-2-isopropyl-5-methylphenoxy)ethyl)-N-ethylethan-1-amine hydrochloride2-Chloro-N-{2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]ethyl}-N-ethylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16793-62-7- PubChem CID
- 204705
- DTXSID
DTXSID60168438
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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