CAS 3490-06-0

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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

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 Formula	C₁₁H₁₇NO₂
Molecular Weight	195.26 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	195.125928785 g/mol
Monoisotopic Mass	195.125928785 g/mol
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	152
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