Etafedrine HCl

Synopsis, Chemistry

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Also known as: Etafedrine hydrochloride, 5591-29-7, Etafedrine hydrochloride (mixture of diastereomers), 530-35-8, 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride, Etafedrine hydrochloride [usan]

Molecular Formula

C₁₂H₂₀ClNO

Molecular Weight

229.74 g/mol

InChI Key

WRONACHIHQGZSD-UHFFFAOYSA-N

1 2D Structure

Etafedrine HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C12H19NO.ClH/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11;/h5-10,12,14H,4H2,1-3H3;1H

2.1.3 InChI Key

WRONACHIHQGZSD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(C)C(C)C(C1=CC=CC=C1)O.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Etafedrine

2. Etafedrine Hydrochloride

3. Etafedrine Hydrochloride, (r-(r*,s*))-isomer

4. Etafedrine, (r*,s*)-isomer

5. Etafedrine, R-(r*,s*)

6. Etaphedrine

7. L-n-ethylephedrine

2.2.2 Depositor-Supplied Synonyms

1. Etafedrine Hydrochloride

2. 5591-29-7

3. Etafedrine Hydrochloride (mixture Of Diastereomers)

4. 530-35-8

5. 2-[ethyl(methyl)amino]-1-phenylpropan-1-ol;hydrochloride

6. Etafedrine Hydrochloride [usan]

7. Etafedrin Hydrochloride

8. Etafedrine Hydrochloride (usan)

9. Etafedrine Hydrochloride, (-)-

10. Nethamine (tn)

11. Einecs 227-000-5

12. Schembl123128

13. Chembl2106678

14. Alpha-(1-(ethylmethylamino)ethyl)benzyl Alcohol Hydrochloride

15. Dtxsid401342825

16. Benzenemethanol, Alpha-(1-(ethylmethylamino)ethyl)-, Hydrochloride

17. Etafedrine Hcl (ethylephedrine Hcl)

18. Ft-0668046

19. D04072

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀ClNO
Molecular Weight	229.74 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	229.1233420 g/mol
Monoisotopic Mass	229.1233420 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2