CAS 42142-52-9

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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

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 Formula	C₁₀H₁₅NO
Molecular Weight	165.23 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	165.115364102 g/mol
Monoisotopic Mass	165.115364102 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1