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2D Structure
Also known as: 953789-37-2, 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane hydrochloride, 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride, 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane, 4-chloro-n-(2-chloropropyl)benzeneethanamine hydrochloride, 2-chloro-n-(4-chlorophenethyl)-propan-1-amine hydrochloride
Molecular Formula
C11H16Cl3N
Molecular Weight
268.6  g/mol
InChI Key
ARSNVFGYXNWTPK-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C11H15Cl2N.ClH/c1-9(12)8-14-7-6-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
2.1.3 InChI Key
ARSNVFGYXNWTPK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CNCCC1=CC=C(C=C1)Cl)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 953789-37-2

2. 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane Hydrochloride

3. 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride

4. 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane

5. 4-chloro-n-(2-chloropropyl)benzeneethanamine Hydrochloride

6. 2-chloro-n-(4-chlorophenethyl)-propan-1-amine Hydrochloride

7. Lorcaserin Impurity B

8. Schembl174859

9. Dtxsid30657920

10. [2-(chloro-phenyl)-ethyl]-(2-chloro-propyl)-ammonium Chloride

11. Amy40342

12. Bcp13020

13. Cs-m1648

14. Benzeneethanamine,4-chloro-n-(2-chloropropyl)-, Hydrochloride (1:1)

15. Akos016000246

16. Ac-28980

17. Cs-13191

18. Db-116034

19. N-(4-chlorophenethyl)-2-chloropropan-1-amine

20. 789c372

21. A855153

22. 1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane Hcl

23. 2-chloro-n-(4-chlorophenethyl)propan-1-amine Hcl

24. Benzeneethanamine,4-chloro-n-(2-chloropropyl)-,hydrochloride

25. 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date
2009-10-07
3 Chemical and Physical Properties
Molecular Weight 268.6 g/mol
Molecular Formula C11H16Cl3N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass267.034833 g/mol
Monoisotopic Mass267.034833 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2