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Also known as: 130198-05-9, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride, 149289-31-6, 1-(4-methoxyphenyl)-2-aminoethyl cyclohexanol hydrochloride, 1-[2-amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride, N,n-didesmethylvenlafaxine hydrochloride
Molecular Formula
C15H24ClNO2
Molecular Weight
285.81  g/mol
InChI Key
NTKXIDDUCSFBBF-UHFFFAOYSA-N
FDA UNII
O00PWS7DPA

CAS 130198-05-9
1 2D Structure

CAS 130198-05-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
2.1.2 InChI
InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H
2.1.3 InChI Key
NTKXIDDUCSFBBF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O.Cl
2.2 Other Identifiers
2.2.1 UNII
O00PWS7DPA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 130198-05-9

2. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

3. 149289-31-6

4. 1-(4-methoxyphenyl)-2-aminoethyl Cyclohexanol Hydrochloride

5. 1-[2-amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Hydrochloride

6. N,n-didesmethylvenlafaxine Hydrochloride

7. 2-(4-methoxyphenyl)-2-(1-hydroxycyclohexyl)ethylamine Hydrochloride

8. O00pws7dpa

9. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

10. N,n-didesmethylvenlafaxine Hydrochloride, (+/-)-

11. 1-(4-methoxyphenyl)-2-aminoethyl Cyclohexanol Hcl

12. Mfcd06658143

13. 1-(2-amino-1-(p-methoxyphenyl)ethyl)cyclohexanol Hydrochloride

14. Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, Hydrochloride

15. Cyclohexanol, 1-(2-amino-1-(4-methoxyphenyl)ethyl)-, Hydrochloride (1:1)

16. Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, Hydrochloride (1:1)

17. 1-(2-amino-1-(4-methoxyphenyl)ethyl) Cyclohexanol Hcl

18. 1-[2-amino-1-(4-methoxy Phenyl)ethyl]cyclohexanol Hydrochloride

19. 1-[(1rs)-2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

20. Unii-o00pws7dpa

21. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol Hcl

22. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hcl

23. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol Hydrochloride

24. Ec 603-392-7

25. Venlafaxine Impurity C Hcl

26. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol.hcl

27. Schembl3325847

28. 1-[2-amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol.hcl

29. Dtxsid70893729

30. Bcp09340

31. Akos015888208

32. Ac-7776

33. Sb82214

34. As-11903

35. Sy037120

36. Db-019460

37. Db-042986

38. Am20020381

39. Cs-0150413

40. Ft-0643123

41. Ft-0643435

42. 198m059

43. A806037

44. Q-100118

45. Q27285135

46. 1-[2-amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol Hcl

47. 1-[2-amino-1-(4-methoxyphenyl)-ethyl]cyclohexanol Hydrochloride

48. 1-[2-amino-1-(4-methoxyphenyl)ethyl]-cyclohexanol Hydrochloride

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 285.81 g/mol
Molecular Formula C15H24ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass285.1495567 g/mol
Monoisotopic Mass285.1495567 g/mol
Topological Polar Surface Area55.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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