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

C12H18F2N2 — CID 115405638

IUPAC2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NCC(F)F)c(C)n1
InChIInChI=1S/C12H18F2N2/c1-7-5-8(2)16-10(4)12(7)9(3)15-6-11(13)14/h5,9,11,15H,6H2,1-4H3
InChIKeyNAFQAXZTQPGQII-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.92
Rot. Bonds4

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

2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (PubChem CID 115405638) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
PubChem CID115405638
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NCC(F)F)c(C)n1
InChIInChI=1S/C12H18F2N2/c1-7-5-8(2)16-10(4)12(7)9(3)15-6-11(13)14/h5,9,11,15H,6H2,1-4H3
InChIKeyNAFQAXZTQPGQII-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (CID 115405638) is 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is Cc1cc(C)c(C(C)NCC(F)F)c(C)n1.
What is the InChIKey of 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The InChIKey is NAFQAXZTQPGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-7-5-8(2)16-10(4)12(7)9(3)15-6-11(13)14/h5,9,11,15H,6H2,1-4H3.
What are the key properties of 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine has a molecular weight of 228.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is sourced from PubChem (CID 115405638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).