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Also known as: 5-fluoro-met, Ds425rq8sx, 2698331-35-8, Refchem:1080124, Chembl4873240, Bretisilocin [inn]

Molecular Formula

C₁₃H₁₇FN₂

Molecular Weight

220.29 g/mol

InChI Key

XRWQULAXCLVBPP-UHFFFAOYSA-N

FDA UNII

DS425RQ8SX

1 2D Structure

Bretisilocin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-2-(5-fluoro-1H-indol-3-yl)-N-methylethanamine

2.1.2 InChI

InChI=1S/C13H17FN2/c1-3-16(2)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3

2.1.3 InChI Key

XRWQULAXCLVBPP-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

DS425RQ8SX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5-fluoro-met

2. Ds425rq8sx

3. 2698331-35-8

4. Refchem:1080124

5. Chembl4873240

6. Bretisilocin [inn]

7. Chembl5028766

8. Schembl24243693

9. Schembl29904441

10. Bdbm693491

11. 5-fluoro-n-methyl-n-ethyltryptamine

12. Bdbm50578374

13. Us20240286998, Compound 12

14. N-ethyl-5-fluoro-n-methyl-1h-indole-3-ethanamine

15. 1h-indole-3-ethanamine, N-ethyl-5-fluoro-n-methyl-

16. N-ethyl-2-(5-fluoro-1h-indol-3-yl)-n- Methylethan-1-amine

17. N-ethyl-2-(5-fluoro-1h-indol-3-yl)-n-methylethan-1-amine

2.4 Create Date

2021-11-10

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇FN₂
Molecular Weight	220.29 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	19
Heavy Atom Count	16
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Bretisilocin

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