WV-0062

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Basic information

CAS: 2989-21-1
Standard SMILES: CCN(CCCl)C(C)COc1cc(C)c(Cl)cc1C(C)C.Cl
InChIKey: GAAQIWKDIAXUAZ-UHFFFAOYSA-N
Molecular formula: C17H28Cl3NO
Average molar mass: 368.8 g/mol
Monoisotopic mass: 367.123648

Names & identifiers

Preferred name: WV-0062
IUPAC: N-(2-chloroethyl)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylpropan-2-amine;hydrochloride

Names & synonyms

WV 0062WV-0062UNII-6L4XQ5OOPO6L4XQ5OOPO2989-21-1p-Cymene, 2-chloro-5-(2-(N-(2-chloroethyl)-N-ethylamino)propoxy)-, hydrochloride4-Chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropylphenetole HClPhenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropyl-, hydrochloride2'-CHLORO-2-((6-CHLOROTHYMYL)OXY)-1-METHYLTRIETHYLAMINOHYDROCHLORIDEN-(1-(4'-CHLOROTHYMOXY)-2-PROPYL)-N-(.BETA.-CHLOROETHYLETHYL)AMINE HYDROCHLORIDETRIETHYLAMINE, 2'-CHLORO-2-((6-CHLOROTHYMYL)OXY)-1-METHYL-, HYDROCHLORIDE2-PROPANAMINE, N-(2-CHLOROETHYL)-1-(4-CHLORO-5-METHYL-2-(1-METHYLETHYL)PHENOXY)-N-ETHYL-, HYDROCHLORIDE (1:1)

Show more names

RefChem:203463N-(1-(4'-CHLOROTHYMOXY)-2-PROPYL)-N-(BETA-CHLOROETHYLETHYL)AMINE HYDROCHLORIDEDTXSID30952346Q27265092N-(2-Chloroethyl)-1-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]-N-ethylpropan-2-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 2989-21-1
PubChem CID: 200960
DTXSID: DTXSID30952346
UNII: 6L4XQ5OOPO

Properties

Computed structural properties

Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 288

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Compound notes

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