1 2D Structure

2D Structure

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 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	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 118864-75-8

CAS 118864-75-8

CHEMISTRY

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