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Overview

Client Email Product
174561-70-7
PharmaCompass
174561-70-7
Also known as: 174561-70-7, 3-aminomethyl-4-(4-fluorobenzyl)morpholine, 3-aminomethy-4-(4-fluorobenzyl)morpholine, [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine, [4-(4-fluorobenzyl)morpholin-3-yl]methylamine, Schembl8327456
Molecular Formula
C12H17FN2O
Molecular Weight
224.27  g/mol
InChI Key
VVWOFFGNIYRUJK-UHFFFAOYSA-N

1 2D Structure

174561-70-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
2.1.2 InChI
InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1-4,12H,5-9,14H2
2.1.3 InChI Key
VVWOFFGNIYRUJK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCC(N1CC2=CC=C(C=C2)F)CN
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 174561-70-7

2. 3-aminomethyl-4-(4-fluorobenzyl)morpholine

3. 3-aminomethy-4-(4-fluorobenzyl)morpholine

4. [4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine

5. [4-(4-fluorobenzyl)morpholin-3-yl]methylamine

6. Schembl8327456

7. Ctk8b5035

8. Dtxsid30596623

9. Vvwoffgniyrujk-uhfffaoysa-n

10. Act01995

11. Anw-47144

12. Sbb052507

13. Akos015919587

14. Api0026312

15. Vz34527

16. Acm174561707

17. An-28748

18. Br-62972

19. Sc-17062

20. 3-aminomethy-4-(p-fluorobenzyl)morpholine

21. Ax8220152

22. Bc4717259

23. Rt-007389

24. Tc-135889

25. Ft-0643666

26. St24020482

27. M-1912

28. 1-[4-(4-fluorobenzyl)-3-morpholinyl]methanamine

29. 561a707

30. A811664

31. 4-[(4-fluorophenyl)methyl]-3-morpholinemethanamine

32. [4-[(4-fluorophenyl)methyl]-3-morpholinyl]methanamine

33. {4-[(4-fluorophenyl)methyl]morpholin-3-yl}methylamine

34. 1-{4-[(4-fluorophenyl)methyl]morpholin-3-yl}methanamine

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 224.27 g/mol
Molecular Formula C12H17FN2O
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass224.132491 g/mol
Monoisotopic Mass224.132491 g/mol
Topological Polar Surface Area38.5
Heavy Atom Count16
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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