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Also known as: 42142-52-9, 3-(methylamino)-1-phenylpropan-1-ol, Alpha-[2-(methylamino)ethyl]benzyl alcohol, 3-hydroxy-n-methyl-3-phenylpropylamine, 3-methylamino-1-phenylpropanol, 3-(methylamino)-1-phenyl-1-propanol
Molecular Formula
C10H15NO
Molecular Weight
165.23  g/mol
InChI Key
XXSDCGNHLFVSET-UHFFFAOYSA-N
FDA UNII
I28ND993BO

CAS 42142-52-9
1 2D Structure

CAS 42142-52-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(methylamino)-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
2.1.3 InChI Key
XXSDCGNHLFVSET-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNCCC(C1=CC=CC=C1)O
2.2 Other Identifiers
2.2.1 UNII
I28ND993BO
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 42142-52-9

2. 3-(methylamino)-1-phenylpropan-1-ol

3. Alpha-[2-(methylamino)ethyl]benzyl Alcohol

4. 3-hydroxy-n-methyl-3-phenylpropylamine

5. 3-methylamino-1-phenylpropanol

6. 3-(methylamino)-1-phenyl-1-propanol

7. Atomoxetine Related Compound A

8. I28nd993bo

9. Mfcd00674078

10. Alpha-(2-(methylamino)ethyl)benzyl Alcohol

11. Alpha-[2-(methylamino)ethyl]benzenemethanol

12. (1rs)-3-(methylamino)-1-phenylpropan-1-ol

13. Einecs 255-679-8

14. 3-methylamino-1-phenyl-propan-1-ol

15. 3-(methylamino)-1-phenyl-propan-1-ol

16. Unii-i28nd993bo

17. N-methyl-3-hydroxy-3-phenyl-propylamine

18. 3-methylamino-1-phenyl-1-propanol

19. Fluoxetine Impurity A Crs

20. Ec 255-679-8

21. Schembl526622

22. 3-methylamino-1-phenyl-propanol

23. Dtxsid40866081

24. 3-(methylamino)-1-phenylpropanol

25. Act03342

26. Bbl103097

27. Stl556907

28. N-methyl-3phenyl-3-hydroxypropylamine

29. 1-phenyl-3-(methylamino)-1-propanol

30. Akos005216445

31. Akos016842442

32. Gamma-hydroxy-n-methylphenylpropylamine

33. Ab06932

34. Ac-1834

35. N-methyl-3-hydroxy-3-phenylpropylamine

36. Sb76266

37. Sb76272

38. (+)-methylamino-1-phenyl-propan-1-ol

39. 1-phenyl-3-(n-methylamino)propan-1-ol

40. 3-hydroxy-n-methyl-3-phenyl Propylamine

41. N-methyl-3-phenyl-3-hydroxypropyl-amine

42. 1-phenyl-3-(n-methylamino)-propan-1-ol

43. As-15329

44. N-methyl-3-phenyl-3-hydroxy Propyl Amine

45. N-methyl-3-phenyl-3-hydroxy-propyl-amine

46. Sy050893

47. Db-021724

48. Alpha -[2-(methylamino)ethyl]benzyl Alcohol

49. Cs-0010500

50. Ft-0639765

51. Ft-0771123

52. Ft-0773467

53. M1960

54. (+/-)-n-methyl-3-hydroxy-3-phenylpropylamine

55. 42h529

56. Atomoxetine Related Compound A [usp-rs]

57. F17750

58. N-methyl-3-phenyl-3-hydroxypropylamine

59. Alpha-[2-(methylamino)ethyl]benzyl Alcohol, 97%

60. W-106283

61. Atomoxetine Related Compound A [usp Impurity]

62. Q27280280

63. Benzenemethanol, .alpha.-(2-(methylamino)ethyl)-

64. Atomoxetine Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 165.23 g/mol
Molecular Formula C10H15NO
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115364102 g/mol
Monoisotopic Mass165.115364102 g/mol
Topological Polar Surface Area32.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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