(-)-Bis[(S)-1-phenylethyl]amine hydrochloride | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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(-)-Bis[(S)-1-phenylethyl]amine Hydrochloride
Chemistry
Table View

2D Structure

Also known as: 40648-92-8, (s)-bis((s)-1-phenylethyl)amine hydrochloride, (1s)-1-phenyl-n-[(1s)-1-phenylethyl]ethanamine;hydrochloride, Bis[(1s)-1-phenylethyl]amine hydrochloride, (s,s)-(-)-bis(alpha-methylbenzyl)amine hydrochloride, (-)-bis[(s)-1-phenylethyl]amine, hcl

Molecular Formula

C₁₆H₂₀ClN

Molecular Weight

261.79 g/mol

InChI Key

ZBQCLJZOKDRAOW-IODNYQNNSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;hydrochloride

2.1.2 InChI

InChI=1S/C16H19N.ClH/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;/h3-14,17H,1-2H3;1H/t13-,14-;/m0./s1

2.1.3 InChI Key

ZBQCLJZOKDRAOW-IODNYQNNSA-N

2.1.4 Canonical SMILES

CC(C1=CC=CC=C1)NC(C)C2=CC=CC=C2.Cl

2.1.5 Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 40648-92-8

2. (s)-bis((s)-1-phenylethyl)amine Hydrochloride

3. (1s)-1-phenyl-n-[(1s)-1-phenylethyl]ethanamine;hydrochloride

4. Bis[(1s)-1-phenylethyl]amine Hydrochloride

5. (s,s)-(-)-bis(alpha-methylbenzyl)amine Hydrochloride

6. (-)-bis[(s)-1-phenylethyl]amine, Hcl

7. Mfcd00216671

8. Rel-(s)-bis((s)-1-phenylethyl)amine Hydrochloride

9. Schembl2469805

10. Dtxsid20493490

11. Zbqcljzokdraow-iodnyqnnsa-n

12. Akos015844235

13. Akos015889193

14. Cs-w012487

15. As-66600

16. A6793

17. (s)-bis((s)-1-phenylethyl)aminehydrochloride

18. Bis[(s)--methylphenylmethyl]amine Hydrochloride

19. D75690

20. En300-252187

21. T70889

22. (s,s)-(-)-bis(alpha-methylbenzyl)amine Hcl

23. Bis[(

24. As)-

25. A-methylphenylmethyl]amine Hydrochloride

26. (-)-bis[(s)-1-phenylethyl]amine Hydrochloride, >=98.0% (at)

27. (1s)-1-phenyl-n-[(1s)-1-phenylethyl]ethan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀ClN
Molecular Weight	261.79 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12
Heavy Atom Count	18
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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