Also known as: 116316-03-1, 4-iodo-n-isopropylamphetamine hydrochloride, 82691-32-5, Iofetamine hcl, (+/-)-n-isopropyl-p-iodoamphetamine hydrochloride, Benzeneethanamine, 4-iodo-alpha-methyl-n-(1-methylethyl)-, hydrochloride (1:1)

Molecular Formula

C₁₂H₁₉ClIN

Molecular Weight

339.64 g/mol

InChI Key

AFLDFEASYWNJGX-UHFFFAOYSA-N

FDA UNII

877DO43251

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C12H18IN.ClH/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11;/h4-7,9-10,14H,8H2,1-3H3;1H

2.1.3 InChI Key

AFLDFEASYWNJGX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)NC(C)CC1=CC=C(C=C1)I.Cl

2.2 Other Identifiers

2.2.1 UNII

877DO43251

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 116316-03-1

2. 4-iodo-n-isopropylamphetamine Hydrochloride

3. 82691-32-5

4. Iofetamine Hcl

5. (+/-)-n-isopropyl-p-iodoamphetamine Hydrochloride

6. Benzeneethanamine, 4-iodo-alpha-methyl-n-(1-methylethyl)-, Hydrochloride (1:1)

7. 1-(4-iodophenyl)propan-2-yl-propan-2-ylazanium;chloride

8. Ncgc00094048-01

9. 1-(4-iodophenyl)-n-propan-2-ylpropan-2-amine;hydrochloride

10. 877do43251

11. 95896-48-3

12. Unii-877do43251

13. Dsstox_cid_25774

14. Dsstox_rid_81116

15. Dsstox_gsid_45774

16. Mls002153161

17. Schembl7755724

18. Chembl1255865

19. Dtxsid3045774

20. 1-(4-iodophenyl)-n-propan-2-ylpropan-2-amine Hydrochloride

21. Tox21_111239

22. Tox21_500694

23. Iofetamine Hydrochloride [ii]

24. Akos015908631

25. Benzeneethanamine, 4-iodo-alpha-methyl-n-(1-methylethyl)-, Hydrochloride

26. Ccg-221998

27. Lp00694

28. Benzeneethanamine, 4-iodo-alpha-methyl-n-(1-methylethyl)-, Hydrochloride, (+/-)-

29. Ncgc00261379-01

30. Smr001230655

31. N-isopropyl-p-iodoamphetamine Hydrochloride

32. Cas-82691-32-5

33. Db-041308

34. Eu-0100694

35. I-120

36. A803593

37. Sr-01000075216

38. (+/-)-2-(n-isopropyl)amino-4'-iodophenylpropane

39. 4-iodo-n-isopropylamphetamine Hcl (4-iamp)

40. Sr-01000075216-1

41. Q27269804

42. 1-(4-iodophenyl)-n-isopropylpropan-2-amine Hydrochloride

43. 1-(4-iodophenyl)-n-propan-2-yl-2-propanamine Hydrochloride

44. 1-(4-iodophenyl)-n-propan-2-yl-propan-2-amine Hydrochloride

45. Iofetamine Hydrochloride, Analytical Standard, For Drug Analysis

46. Benzeneethanamine, 4-iodo-.alpha.-methyl-n-(1-methylethyl)-, Hydrochloride

47. Benzeneethanamine, 4-iodo-.alpha.-methyl-n-(1-methylethyl)-, Hydrochloride (1:1)

48. Benzeneethanamine, 4-iodo-.alpha.-methyl-n-(1-methylethyl)-, Hydrochloride, (+/-)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉ClIN
Molecular Weight	339.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	339.02507 g/mol
Monoisotopic Mass	339.02507 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	150
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	2

Iofetamine Hydrochloride

Iofetamine Hydrochloride

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