CAS 22990-19-8

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Also known as: 22990-19-8, 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, 1,2,3,4-tetrahydro-1-phenylisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, Bas 01118689, Chembl21465

Molecular Formula

C₁₅H₁₅N

Molecular Weight

209.29 g/mol

InChI Key

PRTRSEDVLBBFJZ-UHFFFAOYSA-N

1 2D Structure

CAS 22990-19-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-phenyl-1,2,3,4-tetrahydroisoquinoline

2.1.2 InChI

InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2

2.1.3 InChI Key

PRTRSEDVLBBFJZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNC(C2=CC=CC=C21)C3=CC=CC=C3

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,2,3,4-tetrahydro-1-phenylisoquinoline

2. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride

3. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (+)-isomer

4. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (+-)-isomer

5. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (-)-isomer

6. Phenyl-tiq

2.2.2 Depositor-Supplied Synonyms

1. 22990-19-8

2. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline

3. 1,2,3,4-tetrahydro-1-phenylisoquinoline

4. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-

5. Bas 01118689

6. Chembl21465

7. Mfcd02179241

8. (s)-1,2,3,4-tetrahydro-1-phenylisoquinoline

9. Phenyl-tiq

10. Mfcd08692036

11. Nsc338399

12. Schembl327233

13. Schembl12046710

14. Amy40172

15. Bcp12873

16. Bcp14564

17. Cs-b0307

18. Ac-685

19. Bdbm50017035

20. Stl253537

21. Akos000272849

22. Akos016040456

23. Nsc 338399

24. Nsc-338399

25. Sb31601

26. Sb34419

27. Sb35629

28. Ncgc00245237-01

29. As-15682

30. Sy025337

31. Sy030993

32. Db-008991

33. A4871

34. Ft-0603857

35. Ft-0638277

36. Ft-0689458

37. P2056

38. En300-72483

39. Rac 1-phenyl-1,2,3,4-tetrahydroisoquinoline

40. A18116

41. 990p198

42. A816462

43. Racemic 1-phenyl-1,2,3,4-tetrahydro-isoquinoline

44. Q-101004

45. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, Aldrichcpr

46. Z1741966190

47. 1-phenyl-1,2,3,4-tetrahydroisoquinoline;1-phenyl-1,2,3,4-tetrahydro-isoquinoline

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₅N
Molecular Weight	209.29 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	209.120449483 g/mol
Monoisotopic Mass	209.120449483 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1