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2D Structure
Also known as: 82857-40-7, 107674-15-7, N-methyl-gamma-(2-methylphenoxy)benzenepropanamine hydrochloride, Ly 135252, Ly135252, N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride
Molecular Formula
C17H22ClNO
Molecular Weight
291.8  g/mol
InChI Key
LUCXVPAZUDVVBT-UHFFFAOYSA-N
FDA UNII
LF67S77AXQ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
2.1.3 InChI Key
LUCXVPAZUDVVBT-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
LF67S77AXQ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropylamine

2. 3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

3. Dl-n-methyl-3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

4. Lilly 135252

5. Lilly 94939

6. Ly 135252

7. Ly 94939

8. Ly-135252

9. N-methyl-gamma-(2-methylphenoxy)phenylpropanolamine

10. Nisoxetine

11. Nisoxetine Hydrochloride

12. Nisoxetine Hydrochloride, (+-)-isomer

13. Nisoxetine, (+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 82857-40-7

2. 107674-15-7

3. N-methyl-gamma-(2-methylphenoxy)benzenepropanamine Hydrochloride

4. Ly 135252

5. Ly135252

6. N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine Hydrochloride

7. N-methyl-gamma-(2-methylphenoxy)phenylpropylamine Hydrochloride

8. (rac)-atomoxetine (hydrochloride)

9. N-methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine Hydrochloride

10. Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, Hydrochloride

11. (rac)-tomoxetine (hydrochloride); (rac)-ly 139603

12. N-methyl-3-(2-methylphenoxy)-3-phenylpropanamine Hydrochloride

13. N-methyl-gamma-(2-methylphenoxy)benzenepropan Amine Hydrochloride

14. Ly-135252

15. Starbld0018171

16. Lf67s77axq

17. Schembl649168

18. Dtxsid701338057

19. Hms3749o11

20. Bcp06578

21. Syb70395

22. Syb77638

23. Atomoxetine Hydrochloride, (+/-)-

24. Akos027327301

25. Ab25136

26. Sb17442

27. Sb38907

28. Sb82203

29. Db-266417

30. N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride

31. (3rs)-n-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine Hydrochloride

32. Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, Hydrochloride (1:1)

33. Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, Hydrochloride, (+/-)-

34. Tomoxetine Hydrochloride; Ly 139603 Hcl; Ly-139603 Hcl; Ly139603 Hcl; (r)-tomoxetine Hydrochloride;atomoxetine Hydrochloride

2.4 Create Date
2006-06-06
3 Chemical and Physical Properties
Molecular Weight 291.8 g/mol
Molecular Formula C17H22ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area21.3
Heavy Atom Count20
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2