5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

C13H17BrF3N3 — CID 106796659

IUPAC5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCN1)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N3/c1-2-20(8-10-4-3-5-18-10)12-11(13(15,16)17)6-9(14)7-19-12/h6-7,10,18H,2-5,8H2,1H3
InChIKeyYBEBRVFJLWLDSC-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796659) has the molecular formula C13H17BrF3N3 and a molecular weight of 352.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796659
Molecular FormulaC13H17BrF3N3
Molecular Weight352.20 g/mol
Exact Mass351.06
IUPAC Name5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCCN(CC1CCCN1)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N3/c1-2-20(8-10-4-3-5-18-10)12-11(13(15,16)17)6-9(14)7-19-12/h6-7,10,18H,2-5,8H2,1H3
InChIKeyYBEBRVFJLWLDSC-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106641749
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanethioamide
CID 106795812
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603362
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796659) is 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is CCN(CC1CCCN1)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YBEBRVFJLWLDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N3/c1-2-20(8-10-4-3-5-18-10)12-11(13(15,16)17)6-9(14)7-19-12/h6-7,10,18H,2-5,8H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).