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Phenethylamine, beta-methoxy-N-methyl-m-trifluoromethyl-, hydrochloride

HCID 27138
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Basic information

CAS
15221-80-4
Standard SMILES
CNCC(OC)c1cccc(C(F)(F)F)c1.Cl
InChIKey
JDMPNSQMCIIWLB-UHFFFAOYSA-N
Molecular formula
C11H15ClF3NO
Average molar mass
269.69 g/mol
Monoisotopic mass
269.0794263

Names & identifiers

Preferred name
Phenethylamine, beta-methoxy-N-methyl-m-trifluoromethyl-, hydrochloride
IUPAC
2-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

Names & synonyms

BETA-METHOXY-N-METHYL-M-TRIFLUOROMETHYLPHENETHYLAMINE HYDROCHLORIDE15221-80-4Phenethylamine, beta-methoxy-N-methyl-m-trifluoromethyl-, hydrochlorideRefChem:368716DTXSID709344442-Methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethan-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS
15221-80-4
PubChem CID
27138
DTXSID
DTXSID70934444

Properties

Computed structural properties

Topological polar surface area
21.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
208

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