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2D Structure
Also known as: 50609-01-3, 4-(2-pyrrolidin-1-yl-ethoxy)-phenylamine, 4-[2-(pyrrolidin-1-yl)ethoxy]aniline, 4-(2-pyrrolidin-1-ylethoxy)aniline, 4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine, Benzenamine, 4-[2-(1-pyrrolidinyl)ethoxy]-
Molecular Formula
C12H18N2O
Molecular Weight
206.28  g/mol
InChI Key
OTYZNDKWNPQQJP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-pyrrolidin-1-ylethoxy)aniline
2.1.2 InChI
InChI=1S/C12H18N2O/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
2.1.3 InChI Key
OTYZNDKWNPQQJP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 50609-01-3

2. 4-(2-pyrrolidin-1-yl-ethoxy)-phenylamine

3. 4-[2-(pyrrolidin-1-yl)ethoxy]aniline

4. 4-(2-pyrrolidin-1-ylethoxy)aniline

5. 4-(2-(pyrrolidin-1-yl)ethoxy)benzenamine

6. Benzenamine, 4-[2-(1-pyrrolidinyl)ethoxy]-

7. Schembl56495

8. Schembl3578343

9. Amy5575

10. Dtxsid50424631

11. 4-(2-pyrrolidinoethoxy)phenylamine

12. Zinc4938422

13. Bbl036432

14. Mfcd07790198

15. Stk397423

16. Akos000302268

17. Ac-5444

18. Ds-12892

19. Db-071229

20. 4-(2-pyrrolidin-1 -yl-ethoxy)-phenylamine

21. Bb 0258196

22. Cs-0135274

23. Ft-0678767

24. [4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine

25. 609p013

26. A828201

27. J-513246

28. 4-(2-pyrrolidin-1-ylethoxy)aniline;4-(2-(pyrrolidin-1-yl)ethoxy)aniline

2.3 Create Date
2006-04-30
3 Chemical and Physical Properties
Molecular Weight 206.28 g/mol
Molecular Formula C12H18N2O
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass206.141913202 g/mol
Monoisotopic Mass206.141913202 g/mol
Topological Polar Surface Area38.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1