N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H15F3N2OS — CID 43677200

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCc1ccc(C(C)Nc2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C14H15F3N2OS/c1-9-3-5-12(21-9)10(2)19-11-4-6-13(18-7-11)20-8-14(15,16)17/h3-7,10,19H,8H2,1-2H3
InChIKeyQHUPTMUBXOCVCI-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.57
Rot. Bonds5

About N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677200) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677200
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCc1ccc(C(C)Nc2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C14H15F3N2OS/c1-9-3-5-12(21-9)10(2)19-11-4-6-13(18-7-11)20-8-14(15,16)17/h3-7,10,19H,8H2,1-2H3
InChIKeyQHUPTMUBXOCVCI-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677200) is N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is Cc1ccc(C(C)Nc2ccc(OCC(F)(F)F)nc2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is QHUPTMUBXOCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-9-3-5-12(21-9)10(2)19-11-4-6-13(18-7-11)20-8-14(15,16)17/h3-7,10,19H,8H2,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 316.35 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).