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2D Structure
Also known as: 101-98-4, 2-(benzyl(methyl)amino)ethanol, 2-[benzyl(methyl)amino]ethanol, Ethanol, 2-[methyl(phenylmethyl)amino]-, 2-(benzylmethylamino)ethanol, N-methyl-n-benzylethanolamine
Molecular Formula
C10H15NO
Molecular Weight
165.23  g/mol
InChI Key
WOUANPHGFPAJCA-UHFFFAOYSA-N
FDA UNII
61LYX8089C

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[benzyl(methyl)amino]ethanol
2.1.2 InChI
InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
2.1.3 InChI Key
WOUANPHGFPAJCA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(CCO)CC1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
61LYX8089C
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 101-98-4

2. 2-(benzyl(methyl)amino)ethanol

3. 2-[benzyl(methyl)amino]ethanol

4. Ethanol, 2-[methyl(phenylmethyl)amino]-

5. 2-(benzylmethylamino)ethanol

6. N-methyl-n-benzylethanolamine

7. Ethanol, 2-(benzylmethylamino)-

8. Ethanol, 2-(methyl(phenylmethyl)amino)-

9. N-benzyl-n-methyl-ethanolamine

10. 2-(benzyl-methyl-amino)-ethanol

11. N-benzyl-n-methyl-2-aminoethanol

12. 61lyx8089c

13. 2-(n-benzyl-n-methylamino)ethanol

14. 2-[methyl(phenylmethyl)amino]ethanol

15. Mfcd00002847

16. 2-[n-benzyl-n-methylamino]ethanol

17. Unii-61lyx8089c

18. N-benzyl-n-methyl-n-ethanolamine

19. Einecs 202-994-3

20. 2-[benzyl(methyl)amino]ethan-1-ol

21. Nmnbea

22. Ai3-26797

23. N-benzyl-n-methylethanolamne

24. 2-(methylbenzylamino)ethanol

25. Schembl135868

26. N-benzyl-n-methyl Ethanolamine

27. N-benzyl-n-methyl Ethanol Amine

28. Dtxsid5059242

29. Zinc389763

30. 2-(n-benzyl-n-methylamino)-ethanol

31. Akos009058975

32. 2-(n-benzyl-n-methylamino)ethan-1-ol

33. Ac-5627

34. Cs-w023196

35. Sb76028

36. N-(2-hydroxyethyl)-n-benzyl-methylamine

37. Ds-18032

38. Sy025492

39. Db-000319

40. Ft-0689183

41. .beta.-(n-benzyl-n-methylamino)ethanol

42. D70360

43. N-benzyl-n-methyl-ethanolamine [usp-rs]

44. J-000530

45. J-523483

46. N-benzyl-n-methylethanolamine, Technical Grade, 90%

47. Q27263356

48. Z137706074

49. N-benzyl-n-methylethanolamine, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 165.23 g/mol
Molecular Formula C10H15NO
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115364102 g/mol
Monoisotopic Mass165.115364102 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1