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(1S,2R)-D-Nmethylephedrine Base
PharmaCompass
  • Chemistry
(1S,2R)-D-Nmethylephedrine Base
Also known as: (1s,2r)-(+)-n-methylephedrine, Unii-vp306z33ki, Vp306z33ki, 42151-56-4, (1s,2r)-2-(dimethylamino)-1-phenylpropan-1-ol, D-n-methylephedrine
Molecular Formula
C11H17NO
Molecular Weight
179.263  g/mol
InChI Key
FMCGSUUBYTWNDP-MWLCHTKSSA-N
FDA UNII
VP306Z33KI

1 2D Structure

(1S,2R)-D-Nmethylephedrine Base

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m1/s1
2.1.3 InChI Key
FMCGSUUBYTWNDP-MWLCHTKSSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)O)N(C)C
2.1.5 Isomeric SMILES
C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C
2.2 Other Identifiers
2.2.1 UNII
VP306Z33KI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. (1s,2r)-(+)-n-methylephedrine

2. Unii-vp306z33ki

3. Vp306z33ki

4. 42151-56-4

5. (1s,2r)-2-(dimethylamino)-1-phenylpropan-1-ol

6. D-n-methylephedrine

7. Methylephedrine, D-

8. (+)-methylephedrine

9. Methylephedrine, (+)-

10. (1s,2r)-n-methylephedrine

11. N-methylephedrine D-form [mi]

12. L-(+)-erythro-n-methylephedrine

13. (1s,2r)-2-dimethylamino-1-phenylpropanol

14. Ac1l2rz5

15. Ac1q59f4

16. Schembl2712293

17. Fmcgsuubytwndp-mwlchtkssa-n

18. Zinc3643826

19. Benzenemethanol, Alpha-((1r)-1-(dimethylamino)ethyl)-, (alphas)-

20. Akos025405530

21. Fch1122028

22. (1s,2r)-(+)-n-methylephedrine, 99%

23. (+)-(1s,2r)-2-dimethylamino-1-phenylpropanol

24. (1s,2r)-(+)-2-dimethylamino-1-phenylpropanol

25. C-25564

26. J-500060

27. I14-45266

28. Unii-shs9pgq2ls Component Fmcgsuubytwndp-mwlchtkssa-n

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 179.263 g/mol
Molecular Formula C11H17NO
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass179.131 g/mol
Monoisotopic Mass179.131 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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