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2D Structure
Also known as: 70627-52-0, N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine, 4-benzyloxybenzylidene-(4-fluoro)aniline, 4'-(benzyloxy)benzylidene-4-fluoroaniline, Benzenamine, 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]-, N-[4-(benzyloxy)benzylidene]-4-fluoroaniline
Molecular Formula
C20H16FNO
Molecular Weight
305.3  g/mol
InChI Key
IWNBEFDVKWCBFY-UHFFFAOYSA-N
FDA UNII
8T6S6LX5B3

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
2.1.2 InChI
InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2
2.1.3 InChI Key
IWNBEFDVKWCBFY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)F
2.2 Other Identifiers
2.2.1 UNII
8T6S6LX5B3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 70627-52-0

2. N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine

3. 4-benzyloxybenzylidene-(4-fluoro)aniline

4. 4'-(benzyloxy)benzylidene-4-fluoroaniline

5. Benzenamine, 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]-

6. N-[4-(benzyloxy)benzylidene]-4-fluoroaniline

7. (e)-n-(4-(benzyloxy)benzylidene)-4-fluoroaniline

8. Mfcd00017951

9. (z)-1-(4-(benzyloxy)phenyl)-n-(4-fluorophenyl)methanimine

10. 1206694-75-8

11. 219653-96-0

12. N-((4-(benzyloxy)phenyl)methylidene)-4-fluoroaniline

13. 4-fluoro-n-((4-(phenylmethoxy)phenyl)methylene)benzenamine

14. Benzenamine, 4-fluoro-n-((4-(phenylmethoxy)phenyl)methylene)-

15. Starbld0004881

16. N-(4-benzyloxybenzylidene)-4-fluoroaniline

17. Schembl525302

18. 8t6s6lx5b3

19. Schembl12275030

20. Amy4171

21. Dtxsid30355111

22. Zinc292893

23. Act07249

24. Bcp04589

25. Ac7919

26. Stk078401

27. Akos000483182

28. Akos025401250

29. Akos028109091

30. Zinc100003558

31. Zinc254800438

32. Ac-8739

33. Ds-3355

34. 4-(benzyloxy)benzylidene-4-fluoroaniline

35. Sy055798

36. 4, 4-benzyloxybenzylidene P- Fluoroaniline

37. Db-026693

38. B4301

39. Cs-0156173

40. Ft-0641305

41. 4-benzyloxybenzylidene 4-fluoroaniline

42. F11422

43. N-(4-fluorophenyl)-4-benzyloxybenzylideneamine

44. 4-(4-benzyloxybenzylidene) Fluoroaniline

45. 4?-(benzyloxy)benzylidene-4-fluoroaniline

46. 627b520

47. A836925

48. A836946

49. N-{(e)-[4-(benzyloxy)phenyl]methylidene}-4-fluoroaniline

50. Benzenamine, 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]

51. 4 Inverted Exclamation Mark -(benzyloxy)benzylidene-4-fluoroaniline

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 305.3 g/mol
Molecular Formula C20H16FNO
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass305.121592296 g/mol
Monoisotopic Mass305.121592296 g/mol
Topological Polar Surface Area21.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1