CAS 220352-38-5

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 78 Related Intermediates

2 Suppliers
2 End Use APIs
78 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 220352-38-5, 1006614-49-8, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine, Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1r,2s)-, (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine, (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine

Molecular Formula

C₉H₉F₂N

Molecular Weight

169.17 g/mol

InChI Key

QVUBIQNXHRPJKK-IMTBSYHQSA-N

FDA UNII

OIY4B72TG1

1 2D Structure

CAS 220352-38-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine

2.1.2 InChI

InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1

2.1.3 InChI Key

QVUBIQNXHRPJKK-IMTBSYHQSA-N

2.1.4 Canonical SMILES

C1C(C1N)C2=CC(=C(C=C2)F)F

2.1.5 Isomeric SMILES

C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F

2.2 Other Identifiers

2.2.1 UNII

OIY4B72TG1

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 220352-38-5

2. 1006614-49-8

3. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine

4. Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1r,2s)-

5. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine

6. (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine

7. Oiy4b72tg1

8. (1r, 2s)-rel-2-(3, 4-difluorophenyl)cyclopropanamine

9. (1r,2s)-2-(3,4-difluorophenyl)cyclopropylamine

10. 2-(3,4-difluorophenyl)cyclopropanamine, (1r,2s)-

11. Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1r,2s)-rel-

12. Unii-oiy4b72tg1

13. Schembl245340

14. Ambz0380

15. Ticagrelor Related Compound 31

16. Chembl4589166

17. Dtxsid70431443

18. Mfcd16621156

19. Zinc33975233

20. Akos015951193

21. Ac-25874

22. Am20090745

23. Cs-0006751

24. A850997

25. (1r-trans)-2-(3,4-difluorophenyl)cyclopropanamine

26. (1r,2s)-2-(3,4-difluorophenyl)cyclopropane-1-amine

27. Cyclopropanamine,2-(3,4-difluorophenyl)-,(1r,2s)-

28. F1916-7272

29. (1r Trans)-2-(3,4-difluorophenyl)cyclopropane Amine

30. Trans-(1r,2s)-2-(3,4-difluorophenyl)cyclopropylamine

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₉F₂N
Molecular Weight	169.17 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	169.07030562 g/mol
Monoisotopic Mass	169.07030562 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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	1