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Also known as: 79617-89-3, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamine hydrochloride, 4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride, 329009-20-3, Mfcd00895772, Schembl3695433
Molecular Formula
C17H18Cl3N
Molecular Weight
342.7  g/mol
InChI Key
BLFQGGGGFNSJKA-UHFFFAOYSA-N

CAS 79617-89-3
1 2D Structure

CAS 79617-89-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H
2.1.3 InChI Key
BLFQGGGGFNSJKA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 79617-89-3

2. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamine Hydrochloride

3. 4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

4. 329009-20-3

5. Mfcd00895772

6. Schembl3695433

7. Chembl1415862

8. Akos015900976

9. Ab07662

10. Ncgc00095151-01

11. Ncgc00095151-02

12. Sy032692

13. Cs-0301414

14. Ft-0641726

15. Ft-0674566

16. Ft-0674567

17. Ft-0700687

18. Ft-0768987

19. A839724

20. F0001-2405

21. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenaminehydrochloride

22. 4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-aminehydrochloride

23. ( Inverted Exclamation Marka)-sertraline Hydrochloride,1r,4r)-rel-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamine Hydrochloride

24. (1s,4s)-4-(3,4-dichlorophenyl)-1-(methylamino)-1,2,3,4-tetrahydronaphthalene Hydrochloride

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 342.7 g/mol
Molecular Formula C17H18Cl3N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area12
Heavy Atom Count21
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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