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CHEMISTRY
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7 Drugs in Development

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Chemistry

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Also known as: 103-67-3, N-methyl-1-phenylmethanamine, N-benzylmethylamine, Methylbenzylamine, Benzyl(methyl)amine, Benzylmethylamine

Molecular Formula

C₈H₁₁N

Molecular Weight

121.18 g/mol

InChI Key

RIWRFSMVIUAEBX-UHFFFAOYSA-N

1 2D Structure

Methylbenzylamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methyl-1-phenylmethanamine

2.1.2 InChI

InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

2.1.3 InChI Key

RIWRFSMVIUAEBX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNCC1=CC=CC=C1

2.2 Synonyms

2.2.1 MeSH Synonyms

1. N-benzyl Methyl Ammonium

2. N-benzyl-n-methylamine

3. N-methylbenzylamine Acetate

4. N-methylbenzylamine Hydride

5. N-methylbenzylamine Hydrochloride

6. N-methylbenzylamine Tosylate

2.2.2 Depositor-Supplied Synonyms

1. 103-67-3

2. N-methyl-1-phenylmethanamine

3. N-benzylmethylamine

4. Methylbenzylamine

5. Benzyl(methyl)amine

6. Benzylmethylamine

7. Benzenemethanamine, N-methyl-

8. N-methy-n-benzylamine

9. N-benzyl-n-methylamine

10. Benzylamine, N-methyl-

11. Benzyl-methyl-amine

12. Methyl Benzylamine

13. N-methyl(phenyl)methanamine

14. Benzylamine, N-methyl

15. N-benzyl-methylamine

16. N-methyl Benzylamine

17. N-methyl-n-benzylamine

18. Nsc 8059

19. Mfcd00008289

20. N-methyl-1-phenyl-methanamine

21. N-methyl-n-(phenylmethyl)amine

22. Methylbezylamine

23. N-methylaminomethyl Polystyrene

24. Benzyl Methylamine

25. Benzyl-methylamine

26. Hnmebzl

27. N-benzylmethanamine

28. Benzyl Methyl Amine

29. Methyl-benzyl Amine

30. Einecs 203-133-4

31. N-benzyl Methylamine

32. N-methyl-benzylamine

33. N-methylbenzyl Amine

34. N-benzyl Methyl Amine

35. N-benzyl-methyl Amine

36. N-methyl -benzylamine

37. N-methyl Benzyl Amine

38. N-methyl-benzyl Amine

39. (-)-methylbenzylamine

40. Omega-methylaminotoluene

41. Spectrum_001362

42. Ai3-26793

43. Methyl(phenylmethyl)amine

44. N-benzyl-n-methyl-amine

45. N-methyl-n-benzyl Amine

46. N-methylbenzenemethanamine

47. Spectrum4_001764

48. Spectrum5_000347

49. Racemic Methylbenzyl Amine

50. N-methyl-benzenemethanamine

51. Ec 203-133-4

52. N-benzylmethylamine, 97%

53. Schembl2271

54. Chembl1338

55. Unii-7kn7f4x49e

56. Kbiogr_002247

57. Kbioss_001842

58. Mls004773900

59. 7kn7f4x49e

60. Dtxsid9048439

61. Kbio2_001842

62. Kbio2_004410

63. Kbio2_006978

64. Nsc8059

65. (+)-2-methylbutylp-aminocinnamate

66. Act05529

67. Nsc-8059

68. Str02536

69. Zinc1090563

70. Ar1001

71. Stl196319

72. Akos000119094

73. Cs-w007426

74. Hy-w007426

75. Sdccgmls-0066901.p001

76. Ncgc00166047-01

77. Smr000112361

78. Ft-0631560

79. M0164

80. W-108843

81. Brd-k44558320-003-01-7

82. Q23978278

83. F2190-0316

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁N
Molecular Weight	121.18 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	121.089149355 g/mol
Monoisotopic Mass	121.089149355 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1