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Also known as: 118864-75-8, (s)-1-phenyl-1,2,3,4-tetrahydroisoquinoline, N5nz4w5rgq, (s)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline, (1s)-1,2,3,4-tetrahydro-1-phenylisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1s)-
Molecular Formula
C15H15N
Molecular Weight
209.29  g/mol
InChI Key
PRTRSEDVLBBFJZ-HNNXBMFYSA-N
FDA UNII
N5NZ4W5RGQ

CAS 118864-75-8
1 2D Structure

CAS 118864-75-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-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/t15-/m0/s1
2.1.3 InChI Key
PRTRSEDVLBBFJZ-HNNXBMFYSA-N
2.1.4 Canonical SMILES
C1CNC(C2=CC=CC=C21)C3=CC=CC=C3
2.1.5 Isomeric SMILES
C1CN[C@H](C2=CC=CC=C21)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
N5NZ4W5RGQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 118864-75-8

2. (s)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

3. N5nz4w5rgq

4. (s)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline

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

6. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1s)-

7. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (s)-

8. Mfcd08692036

9. (1s)-1-phenyl-1,2,3,4-tetrahydro-isopquinoline

10. Unii-n5nz4w5rgq

11. Schembl325083

12. Dtxsid80922796

13. Amy37044

14. Cs-b0308

15. Zinc19370042

16. Akos015889792

17. Akos016023743

18. As-15681

19. Db-008987

20. P2216

21. 1(s)-phenyl-1,2,3,4-tetrahydroisoquinoline

22. 1alpha-phenyl-1,2,3,4-tetrahydroisoquinoline

23. (1s)-1-phenyl-1,2,3,4 -tetrahydroisoquinoline

24. 864p758

25. Q-101005

2.4 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 209.29 g/mol
Molecular Formula C15H15N
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.120449483 g/mol
Monoisotopic Mass209.120449483 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count16
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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