Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride

HCID 204697

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Basic information

CAS: 16793-52-5
Standard SMILES: CCN(CCCl)CCOc1cc(C)ccc1C(C)C.Cl
InChIKey: NVROIAXIHDARQX-UHFFFAOYSA-N
Molecular formula: C16H27Cl2NO
Average molar mass: 320.3 g/mol
Monoisotopic mass: 319.1469699

Names & identifiers

Preferred name: Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride
IUPAC: N-(2-chloroethyl)-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride

Names & synonyms

WV 778Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride16793-52-5DTXSID20168434p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, hydrochloridebeta-(N-(2-Chloroethyl)-N-ethylamino)-2-isopropyl-5-methylphenetole hydrochlorideRefChem:368845DTXCID90909252-Chloro-N-ethyl-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}ethan-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 16793-52-5
PubChem CID: 204697
DTXSID: DTXSID20168434

Properties

Computed structural properties

Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 235

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