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Also known as: 3490-06-0, 2-(3,4-dimethoxyphenyl)-n-methylethanamine, 3,4-dimethoxy-n-methylphenethylamine, 2-(3,4-dimethoxyphenyl)-n-methylethylamine, Benzeneethanamine, 3,4-dimethoxy-n-methyl-, N-methyl homoveratrylamine
Molecular Formula
C11H17NO2
Molecular Weight
195.26  g/mol
InChI Key
HNJWKRMESUMDQE-UHFFFAOYSA-N
FDA UNII
5H5ZH95EHG

CAS 3490-06-0
N-methylhomoveratrylamine is a natural product found in Vachellia rigidula, Echinocereus enneacanthus, and other organisms with data available.
1 2D Structure

CAS 3490-06-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(3,4-dimethoxyphenyl)-N-methylethanamine
2.1.2 InChI
InChI=1S/C11H17NO2/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3/h4-5,8,12H,6-7H2,1-3H3
2.1.3 InChI Key
HNJWKRMESUMDQE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNCCC1=CC(=C(C=C1)OC)OC
2.2 Other Identifiers
2.2.1 UNII
5H5ZH95EHG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3490-06-0

2. 2-(3,4-dimethoxyphenyl)-n-methylethanamine

3. 3,4-dimethoxy-n-methylphenethylamine

4. 2-(3,4-dimethoxyphenyl)-n-methylethylamine

5. Benzeneethanamine, 3,4-dimethoxy-n-methyl-

6. N-methyl Homoveratrylamine

7. 5h5zh95ehg

8. 2-(3,4-dimethoxyphenyl)-n-methylethan-1-amine

9. Nsc-187772

10. N-methyl-n-(2-(3,4-dimethoxy-phenyl)-ethyl)-amine

11. N-methyl-n-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine

12. Unii-5h5zh95ehg

13. [2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amine

14. Einecs 222-483-9

15. Nsc187772

16. Nsc 187772

17. N-methyl-homoveratrylamine

18. Ec 222-483-9

19. N-methyl-homoveratryl Amine

20. Mls000516034

21. Bidd:gt0513

22. Schembl557799

23. N-methylhomoveratrylamine, 97%

24. Chembl1404381

25. Dtxsid70188460

26. Hms2269o14

27. Zinc1713157

28. Akos Bbs-00006509

29. Mfcd00067696

30. N-methyl-3,4-dimethoxyphenethylamine

31. Stl373398

32. Akos000271141

33. 3,4-dimethoxy-n-methylbenzenethanamine

34. 3,4-dimethoxyphenylethyl-n-methylamine

35. Fd10469

36. 3,4-dimethoxy-n-methylbenzeneethanamine

37. 3,4-dimethoxyphenylethyl-n-methyl-amine

38. N-methyl-3,4-dimethoxybenzeneethanamine

39. 2-(3,4-dimethoxyphenyl)ethylmethylamine

40. Ncgc00247003-01

41. 2-(3,4-dimethoxyphenyl)ethylmethyl-amine

42. As-48860

43. Smr000112502

44. N-(3,4-dimethoxyphenylethyl)-n-methylamine

45. D2104

46. Ft-0667370

47. N-(3,4-dimethoxy-phenylethyl)-n-methylamine

48. N-methyl-2-(3,4-dimethoxyphenyl)-ethylamine

49. N-(3,4-dimethoxy-phenylethyl)-n-methyl-amine

50. N-methyl-(2-(3,4-dimethoxyphenyl)ethyl)amine

51. Ab00666237-06

52. N-(3,4-dimethoxy-phenyl Ethyl)-n-methyl Amine

53. A822460

54. N-(3,4-dimethoxyphenethyl)-n-methylamine

55. N-[2-(3,4-dimethoxyphenyl)-ethyl]-n-methylamine

56. 2-(3,4-dimethoxyphenyl)-n-methyl-ethylamine-[d3]

57. N-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylamine #

58. N-methyl-n-[2-(3,4-dimethoxyphenyl)-ethyl]-amine

59. N-methyl-n[2-(3,4-dimethoxy-phenyl)-ethyl]-amine

60. W-106700

61. Q27262167

62. Verapamil Hydrochloride Impurity B [ep Impurity]

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 195.26 g/mol
Molecular Formula C11H17NO2
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass195.125928785 g/mol
Monoisotopic Mass195.125928785 g/mol
Topological Polar Surface Area30.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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