Phenetole, beta-(N-(2-chloroethyl)-N-methylamino)-2-isopropyl-5-methyl-, hydrochloride
Basic information
- CAS
16793-50-3- Standard SMILES
Cc1ccc(C(C)C)c(OCCN(C)CCCl)c1.Cl- InChIKey
RXUBEMUKSKJEDL-UHFFFAOYSA-N- Molecular formula
- C15H25Cl2NO
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 305.1313198
Names & identifiers
- Preferred name
- Phenetole, beta-(N-(2-chloroethyl)-N-methylamino)-2-isopropyl-5-methyl-, hydrochloride
- IUPAC
- N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride
Names & synonyms
WV 0016Phenetole, beta-(N-(2-chloroethyl)-N-methylamino)-2-isopropyl-5-methyl-, hydrochloride16793-50-3DTXSID00168432p-Cymene, 3-(2-(N-(2-chloroethyl)-N-methylamino)ethoxy)-, hydrochloridebeta-(N-(2-Chloroethyl)-N-methylamino)-2-isopropyl-5-methylphenetole hydrochlorideRefChem:368847DTXCID90909232-Chloro-N-methyl-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16793-50-3- PubChem CID
- 204693
- DTXSID
DTXSID00168432
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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