CAS 50609-01-3

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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

CAS 50609-01-3

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 Formula	C₁₂H₁₈N₂O
Molecular Weight	206.28 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.141913202 g/mol
Monoisotopic Mass	206.141913202 g/mol
Topological Polar Surface Area	38.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1