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2D Structure
Also known as: 41406-00-2, 3-propan-2-yloxyaniline, M-isopropoxyaniline, 3-isopropoxy-phenylamine, 3-(propan-2-yloxy)aniline, Benzenamine, 3-(1-methylethoxy)-
Molecular Formula
C9H13NO
Molecular Weight
151.21  g/mol
InChI Key
QMGBIPKOKCSUCL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-propan-2-yloxyaniline
2.1.2 InChI
InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3
2.1.3 InChI Key
QMGBIPKOKCSUCL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)OC1=CC=CC(=C1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 41406-00-2

2. 3-propan-2-yloxyaniline

3. M-isopropoxyaniline

4. 3-isopropoxy-phenylamine

5. 3-(propan-2-yloxy)aniline

6. Benzenamine, 3-(1-methylethoxy)-

7. M-aminophenyl Isopropyl Ether

8. Isopropoxyaniline

9. 3-isopropoxy Aniline

10. Meta-isopropoxyaniline

11. 3-isopropoxybenzenamine

12. 3-isopropoxyaniline #

13. 3-isopropoxyaniline, 97%

14. Schembl105230

15. Qmgbipkokcsucl-uhfffaoysa-

16. Dtxsid30341458

17. Amy11232

18. Bbl036331

19. Mfcd00052700

20. Stk500332

21. Akos000146456

22. Cs-w010961

23. Sb75744

24. As-47937

25. Db-049749

26. I0448

27. En300-244056

28. F17045

29. F5608-0062

30. Z239604760

31. Inchi=1/c9h13no/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7h,10h2,1-2h3

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 151.21 g/mol
Molecular Formula C9H13NO
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.2
Heavy Atom Count11
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1