N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

C14H20F3N3O — CID 102719918

IUPACN-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCCN2CCCC2)n1
InChIInChI=1S/C14H20F3N3O/c1-2-18-12-9-11(14(15,16)17)10-13(19-12)21-8-7-20-5-3-4-6-20/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyUJFRIPXXUFHAFB-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719918) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719918
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCCN2CCCC2)n1
InChIInChI=1S/C14H20F3N3O/c1-2-18-12-9-11(14(15,16)17)10-13(19-12)21-8-7-20-5-3-4-6-20/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyUJFRIPXXUFHAFB-UHFFFAOYSA-N
XLogP3.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719918) is N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(OCCN2CCCC2)n1.
What is the InChIKey of N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UJFRIPXXUFHAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-18-12-9-11(14(15,16)17)10-13(19-12)21-8-7-20-5-3-4-6-20/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).