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

C16H18F2N2 — CID 43763919

IUPAC2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C16H18F2N2/c1-9-7-10(2)19-11(3)16(9)12(4)20-15-6-5-13(17)8-14(15)18/h5-8,12,20H,1-4H3
InChIKeyJOMWLNVZLMWESY-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.46
Rot. Bonds3

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

2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (PubChem CID 43763919) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
PubChem CID43763919
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C16H18F2N2/c1-9-7-10(2)19-11(3)16(9)12(4)20-15-6-5-13(17)8-14(15)18/h5-8,12,20H,1-4H3
InChIKeyJOMWLNVZLMWESY-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (CID 43763919) is 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2ccc(F)cc2F)c(C)n1.
What is the InChIKey of 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The InChIKey is JOMWLNVZLMWESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-9-7-10(2)19-11(3)16(9)12(4)20-15-6-5-13(17)8-14(15)18/h5-8,12,20H,1-4H3.
What are the key properties of 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline has a molecular weight of 276.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 43763919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).