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CAS 163837-57-8
PharmaCompass
CAS 163837-57-8
Also known as: (r)-(4-chlorophenyl)(phenyl)methanamine, 163837-57-8, Ak167068, (1r)-1-(4-chlorophenyl)-1-phenylmethanamine, Ac1leh7c, Schembl588409
Molecular Formula
C13H12ClN
Molecular Weight
217.696  g/mol
InChI Key
XAFODXGEQUOEKN-CYBMUJFWSA-N

1 2D Structure

CAS 163837-57-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(R)-(4-chlorophenyl)-phenylmethanamine
2.1.2 InChI
InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m1/s1
2.1.3 InChI Key
XAFODXGEQUOEKN-CYBMUJFWSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (r)-(4-chlorophenyl)(phenyl)methanamine

2. 163837-57-8

3. Ak167068

4. (1r)-1-(4-chlorophenyl)-1-phenylmethanamine

5. Ac1leh7c

6. Schembl588409

7. [(r)-4-chlorobenzhydryl]amine

8. Zinc155170

9. (r)-(-)-4-chlorobenzhydrylamine

10. Mfcd12068384

11. Akos015888722

12. (-)-alpha-(4-chlorophenyl)benzylamine

13. Ls30192

14. Aj-13442

15. Ab0072954

16. Ax8042814

17. Bg00928665

18. Bg01522445

19. Ft-0655057

20. (r)-c-(4-chloro-phenyl)-c-phenyl-methylamine

21. X-2418

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 217.696 g/mol
Molecular Formula C13H12ClN
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass217.066 g/mol
Monoisotopic Mass217.066 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count15
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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