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2D Structure
Also known as: 3378-72-1, N-benzyl-2-methylpropan-2-amine, N-(tert-butyl)benzylamine, N-benzyl-tert-butylamine, N-tert-butylbenzylamine, Tert-butylbenzylamine
Molecular Formula
C11H17N
Molecular Weight
163.26  g/mol
InChI Key
DLSOILHAKCBARI-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-benzyl-2-methylpropan-2-amine
2.1.2 InChI
InChI=1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
2.1.3 InChI Key
DLSOILHAKCBARI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)NCC1=CC=CC=C1
2.2 Synonyms
2.2.1 MeSH Synonyms

1. N-(1,1-dimethylethyl)benzylamine

2. N-benzylidene-tert-butylamine

3. Nbtba Cpd

2.2.2 Depositor-Supplied Synonyms

1. 3378-72-1

2. N-benzyl-2-methylpropan-2-amine

3. N-(tert-butyl)benzylamine

4. N-benzyl-tert-butylamine

5. N-tert-butylbenzylamine

6. Tert-butylbenzylamine

7. N-t-butylbenzylamine

8. Benzyl(tert-butyl)amine

9. Benzyl-tert-butyl-amine

10. T-butylbenzylamine

11. N-(1,1-dimethylethyl)benzylamine

12. Einecs 222-179-6

13. Mfcd00008798

14. Benzyl-tert-butylamine

15. N-benzyl-t-butylamine

16. Tert-butyl-benzylamine

17. Ai3-23247

18. N-t-butyl-n-benzylamine

19. N-benzyl-n-tert-butylamine

20. N-benzyln-tert.-butylamine

21. N-tert-butyl-n-benzylamine

22. N-benzyl-n-tert.-butylamine

23. Schembl125129

24. Dtxsid2063002

25. Amy3946

26. Albb-025934

27. Str05000

28. Zinc2534748

29. N-benzyl-2-methyl-2-propanamine #

30. Akos000119241

31. Cs-w017915

32. Sb75737

33. N-(1,1-dimethylethyl)benzenemethanamine

34. Ac-23994

35. Ft-0657887

36. D78115

37. J-019322

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 163.26 g/mol
Molecular Formula C11H17N
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass163.136099547 g/mol
Monoisotopic Mass163.136099547 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1