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2D Structure
Also known as: 102-97-6, N-benzylisopropylamine, N-benzylpropan-2-amine, N-benzyl-n-isopropylamine, Isopropylbenzylamine, Benzenemethanamine, n-(1-methylethyl)-
Molecular Formula
C10H15N
Molecular Weight
149.23  g/mol
InChI Key
LYBKPDDZTNUNNM-UHFFFAOYSA-N
FDA UNII
67SYC92FNS

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-benzylpropan-2-amine
2.1.2 InChI
InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
2.1.3 InChI Key
LYBKPDDZTNUNNM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)NCC1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
67SYC92FNS
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-benzyl-n-isopropylamine

2. N-benzylisopropylamine

2.3.2 Depositor-Supplied Synonyms

1. 102-97-6

2. N-benzylisopropylamine

3. N-benzylpropan-2-amine

4. N-benzyl-n-isopropylamine

5. Isopropylbenzylamine

6. Benzenemethanamine, N-(1-methylethyl)-

7. Benzylisopropylamine

8. Benzylamine, N-isopropyl-

9. N-(1-methylethyl)-benzenemethanamine

10. N-isopropyl-n-benzylamine

11. Mfcd00008863

12. 67syc92fns

13. Nsc-60295

14. N-benzyl Isopropylamine

15. N-isopropylbenzylamine (hydrochloride)

16. Benzyl(propan-2-yl)amine

17. Einecs 203-067-6

18. Isopropyl Benzylamine

19. Nsc 60295

20. Benzyl-isopropyl-amine

21. Ai3-26799

22. Unii-67syc92fns

23. N-isopropylbenzylamine, 97%

24. Schembl143708

25. Chembl3229275

26. Dtxsid8059265

27. (1-methylethyl)(phenylmethyl)amine

28. Nsc60295

29. Stk500594

30. Akos000119921

31. Cs-w020642

32. As-63527

33. Sy032809

34. N-(1-methylethyl)benzenemethanamine

35. Db-000330

36. B1216

37. Ns00023197

38. C11247

39. N-isopropylbenzylamine, Purum, >=97.0% (gc)

40. Q3511281

41. W-108862

42. Inchi=1/c10h15n/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11h,8h2,1-2h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 149.23 g/mol
Molecular Formula C10H15N
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area12
Heavy Atom Count11
Formal Charge0
Complexity93
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1