1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

C13H16F3N3O — CID 106706266

IUPAC1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(COCC(F)(F)F)c2ncccc12
InChIInChI=1S/C13H16F3N3O/c1-9(17)5-10-6-19(8-20-7-13(14,15)16)12-11(10)3-2-4-18-12/h2-4,6,9H,5,7-8,17H2,1H3
InChIKeyPIHPEOIOVRRVMG-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.46
Rot. Bonds5

About 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (PubChem CID 106706266) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
PubChem CID106706266
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(COCC(F)(F)F)c2ncccc12
InChIInChI=1S/C13H16F3N3O/c1-9(17)5-10-6-19(8-20-7-13(14,15)16)12-11(10)3-2-4-18-12/h2-4,6,9H,5,7-8,17H2,1H3
InChIKeyPIHPEOIOVRRVMG-UHFFFAOYSA-N
XLogP2.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66410681
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 79263659
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562
5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412632
2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66410874
1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
CID 66410879
1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66412633
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231
N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66410846
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (CID 106706266) is 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is CC(N)Cc1cn(COCC(F)(F)F)c2ncccc12.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The InChIKey is PIHPEOIOVRRVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-9(17)5-10-6-19(8-20-7-13(14,15)16)12-11(10)3-2-4-18-12/h2-4,6,9H,5,7-8,17H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 106706266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).