CAS 79617-89-3

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5 End Use APIs
13 Related Intermediates

Chemistry

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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

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 Formula	C₁₇H₁₈Cl₃N
Molecular Weight	342.7 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12
Heavy Atom Count	21
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2