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Also known as: 349-65-5, 3-amino-4-methoxybenzotrifluoride, 2-amino-4-trifluoromethylanisole, Mfcd00042486, Benzenamine, 2-methoxy-5-(trifluoromethyl)-, 2-methoxy-5-trifluoromethylaniline
Molecular Formula
C8H8F3NO
Molecular Weight
191.15  g/mol
InChI Key
RKUSRLUGUVDNKP-UHFFFAOYSA-N

CAS 349-65-5
1 2D Structure

CAS 349-65-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methoxy-5-(trifluoromethyl)aniline
2.1.2 InChI
InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
2.1.3 InChI Key
RKUSRLUGUVDNKP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)C(F)(F)F)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 349-65-5

2. 3-amino-4-methoxybenzotrifluoride

3. 2-amino-4-trifluoromethylanisole

4. Mfcd00042486

5. Benzenamine, 2-methoxy-5-(trifluoromethyl)-

6. 2-methoxy-5-trifluoromethylaniline

7. 2-methoxy-5-trifluoromethyl-phenylamine

8. 4-trifluromethyl-o-anisidine

9. Schembl330883

10. F3146-0169

11. Dtxsid10344947

12. Chebi:194915

13. Pvqwwvsjkithly-uhfffaoysa-n

14. Pwqphulfbidccz-uhfffaoysa-n

15. Hms1659d05

16. 2-amino-4-(trifluoromethyl)anisole

17. 2-methoxy-5-trifluoromethyl-aniline

18. 3-amino-4-methoxy Benzotrifluoride

19. 2-methoxy-5-(triluoromethyl)aniline

20. 5-(trifluoromethyl)-2-methoxyaniline

21. 2-methoxy-5-(trifluoromethyl) Aniline

22. 2-methoxy-5-trifluoromethylphenylamine

23. Akos000102083

24. 5-(trifluoromethyl) -2-methoxyaniline

25. Cs-w002211

26. Ps-8358

27. 2-methoxy-5-(trifluoromethyl)benzenamine

28. Sy024813

29. 2-methoxy-5-(trifluoromethyl)phenylamine #

30. 2-methoxy-5-(trifluoromethyl)aniline, 96%

31. Am20040248

32. Ft-0614984

33. M2212

34. Vu0510740-1

35. A19845

36. En300-257738

37. J-509822

38. 6-methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine

39. Z111782480

40. 3-amino-4-methoxybenzotrifluoride; 6-methoxy-alpha,alpha,alpha-trifluoro-m-toluidine

41. Inchi=1/c8h8f3no/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4h,12h2,1h

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 191.15 g/mol
Molecular Formula C8H8F3NO
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.2
Heavy Atom Count13
Formal Charge0
Complexity171
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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