CAS 70627-52-0

Chemistry, 1 End Use API, 25 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

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

CAS 70627-52-0

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 Formula	C₂₀H₁₆FNO
Molecular Weight	305.3 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	305.121592296 g/mol
Monoisotopic Mass	305.121592296 g/mol
Topological Polar Surface Area	21.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	351
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