CAS 52818-63-0

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Also known as: 52818-63-0, 2-(4-methoxybenzylamino)pyridine, N-[(4-methoxyphenyl)methyl]pyridin-2-amine, P-anisyl(2-pyridyl)amine, V4n1ti20xx, Nsc-124138

Molecular Formula

C₁₃H₁₄N₂O

Molecular Weight

214.26 g/mol

InChI Key

SMJGJENXFSWIMQ-UHFFFAOYSA-N

FDA UNII

V4N1TI20XX

1 2D Structure

CAS 52818-63-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(4-methoxyphenyl)methyl]pyridin-2-amine

2.1.2 InChI

InChI=1S/C13H14N2O/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)

2.1.3 InChI Key

SMJGJENXFSWIMQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)CNC2=CC=CC=N2

2.2 Other Identifiers

2.2.1 UNII

V4N1TI20XX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 52818-63-0

2. 2-(4-methoxybenzylamino)pyridine

3. N-[(4-methoxyphenyl)methyl]pyridin-2-amine

4. P-anisyl(2-pyridyl)amine

5. V4n1ti20xx

6. Nsc-124138

7. Mepyramine Maleate Imp. A (ep); Mepyramine Imp. A (ep); N-(4-methoxybenzyl)pyridin-2-amine; Mepyramine Maleate Impurity A; Mepyramine Impurity A

8. Einecs 258-202-1

9. Nsc124138

10. [(4-methoxyphenyl)methyl]-2-pyridylamine

11. Maybridge1_007212

12. Unii-v4n1ti20xx

13. 2-pyridinamine, N-((4-methoxyphenyl)methyl)-

14. Oprea1_235449

15. Oprea1_273739

16. Oprea1_822723

17. Schembl2312890

18. 2-(p-methoxybenzylamino)pyridine

19. Hms561p18

20. Dtxsid70200797

21. Amy30546

22. Mepyramine Maleate Impurity A

23. Bbl009747

24. Mfcd00006252

25. Skf-47437

26. Stk499966

27. Akos000520940

28. Akos003627354

29. Ccg-253094

30. Nsc 124138

31. Sb79204

32. S10095

33. N-(4-methoxybenzyl)-n-(2-pyridyl)amine

34. Ts-00445

35. Db-052192

36. Cs-0172598

37. Eu-0017561

38. Ns00032591

39. En300-10164308

40. N-((4-methoxyphenyl)methyl)-2-pyridinamine

41. Z31235113

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄N₂O
Molecular Weight	214.26 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	34.2
Heavy Atom Count	16
Formal Charge	0
Complexity	190
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

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