N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H19F3N4O — CID 103216249

IUPACN-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nncc1C(COCC(F)(F)F)NCC
InChIInChI=1S/C11H19F3N4O/c1-3-5-18-10(6-16-17-18)9(15-4-2)7-19-8-11(12,13)14/h6,9,15H,3-5,7-8H2,1-2H3
InChIKeyYANJEESRVWDRJP-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.92
Rot. Bonds8

About N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216249) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216249
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC NameN-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nncc1C(COCC(F)(F)F)NCC
InChIInChI=1S/C11H19F3N4O/c1-3-5-18-10(6-16-17-18)9(15-4-2)7-19-8-11(12,13)14/h6,9,15H,3-5,7-8H2,1-2H3
InChIKeyYANJEESRVWDRJP-UHFFFAOYSA-N
XLogP1.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216249) is N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCn1nncc1C(COCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YANJEESRVWDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-3-5-18-10(6-16-17-18)9(15-4-2)7-19-8-11(12,13)14/h6,9,15H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 280.29 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).