N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H15F3N2OS — CID 43677139

IUPACN-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCCC(Nc1ccc(OCC(F)(F)F)nc1)c1cccs1
InChIInChI=1S/C14H15F3N2OS/c1-2-11(12-4-3-7-21-12)19-10-5-6-13(18-8-10)20-9-14(15,16)17/h3-8,11,19H,2,9H2,1H3
InChIKeyFPZMLWOJUSVHSG-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.65
Rot. Bonds6

About N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677139) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677139
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCCC(Nc1ccc(OCC(F)(F)F)nc1)c1cccs1
InChIInChI=1S/C14H15F3N2OS/c1-2-11(12-4-3-7-21-12)19-10-5-6-13(18-8-10)20-9-14(15,16)17/h3-8,11,19H,2,9H2,1H3
InChIKeyFPZMLWOJUSVHSG-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677139) is N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CCC(Nc1ccc(OCC(F)(F)F)nc1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is FPZMLWOJUSVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-11(12-4-3-7-21-12)19-10-5-6-13(18-8-10)20-9-14(15,16)17/h3-8,11,19H,2,9H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 316.35 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).