2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine

C12H17F3N2 — CID 43755101

IUPAC2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NCC(F)(F)F)c(C)n1
InChIInChI=1S/C12H17F3N2/c1-7-5-8(2)17-10(4)11(7)9(3)16-6-12(13,14)15/h5,9,16H,6H2,1-4H3
InChIKeyLPIPYVVMKHNLLI-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.22
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine

2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (PubChem CID 43755101) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
PubChem CID43755101
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NCC(F)(F)F)c(C)n1
InChIInChI=1S/C12H17F3N2/c1-7-5-8(2)17-10(4)11(7)9(3)16-6-12(13,14)15/h5,9,16H,6H2,1-4H3
InChIKeyLPIPYVVMKHNLLI-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (CID 43755101) is 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is Cc1cc(C)c(C(C)NCC(F)(F)F)c(C)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The InChIKey is LPIPYVVMKHNLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-7-5-8(2)17-10(4)11(7)9(3)16-6-12(13,14)15/h5,9,16H,6H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine has a molecular weight of 246.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is sourced from PubChem (CID 43755101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).