2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

C11H19F3N4O — CID 55073252

IUPAC2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C11H19F3N4O/c1-10(2,3)15-6-9-7-18(17-16-9)4-5-19-8-11(12,13)14/h7,15H,4-6,8H2,1-3H3
InChIKeyYSGYURJYKVHHAZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.75
Rot. Bonds6

About 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 55073252) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID55073252
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C11H19F3N4O/c1-10(2,3)15-6-9-7-18(17-16-9)4-5-19-8-11(12,13)14/h7,15H,4-6,8H2,1-3H3
InChIKeyYSGYURJYKVHHAZ-UHFFFAOYSA-N
XLogP1.75
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 55073252) is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cn(CCOCC(F)(F)F)nn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is YSGYURJYKVHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-10(2,3)15-6-9-7-18(17-16-9)4-5-19-8-11(12,13)14/h7,15H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 280.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).