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

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Also known as: (+)-methylephedrine, (1s,2r)-(+)-n-methylephedrine, Methylephedrine, (+)-, 42151-56-4, D-n-methylephedrine, Methylephedrine, d-

Molecular Formula

C₁₁H₁₇NO

Molecular Weight

179.26 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. (+)-methylephedrine

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

3. Methylephedrine, (+)-

4. 42151-56-4

5. D-n-methylephedrine

6. Methylephedrine, D-

7. (1s,2r)-2-(dimethylamino)-1-phenylpropan-1-ol

8. (1s,2r)-n-methylephedrine

9. N-methylephedrine D-form [mi]

10. L-(+)-erythro-n-methylephedrine

11. (1s,2r)-2-dimethylamino-1-phenylpropanol

12. Vp306z33ki

13. Unii-vp306z33ki

14. R,s-(-)-n-methylephedrine

15. S,r-(+)-n-methylephedrine

16. N-methylephedrine, D-

17. Schembl2712293

18. Dtxsid20962313

19. Dtxsid701021165

20. 1201-56-5

21. Zinc3643826

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

23. Akos025405530

24. (1s,2r)-(+)-n-methylephedrine, 99%

25. J-500060

26. Q27291941

27. Benzenemethanol, .alpha.-((1r)-1-(dimethylamino)ethyl)-, (.alpha.s)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇NO
Molecular Weight	179.26 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	179.131014166 g/mol
Monoisotopic Mass	179.131014166 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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