3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline

C16H18F2N2 — CID 43765047

IUPAC3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C16H18F2N2/c1-9-5-10(2)19-11(3)16(9)12(4)20-15-7-13(17)6-14(18)8-15/h5-8,12,20H,1-4H3
InChIKeyZARAYFOVBGVNJQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.46
Rot. Bonds3

About 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline

3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (PubChem CID 43765047) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
PubChem CID43765047
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2cc(F)cc(F)c2)c(C)n1
InChIInChI=1S/C16H18F2N2/c1-9-5-10(2)19-11(3)16(9)12(4)20-15-7-13(17)6-14(18)8-15/h5-8,12,20H,1-4H3
InChIKeyZARAYFOVBGVNJQ-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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Related Compounds

4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43760599
2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 107679467
2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43763919
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
CID 43776909
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 43771050
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
3-ethoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 60935217
2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43772215
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine
CID 134391658
(1S)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63750724
(1R)-1-(2,4,6-trimethyl-3-pyridinyl)ethanol
CID 63365086

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (CID 43765047) is 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2cc(F)cc(F)c2)c(C)n1.
What is the InChIKey of 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The InChIKey is ZARAYFOVBGVNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-9-5-10(2)19-11(3)16(9)12(4)20-15-7-13(17)6-14(18)8-15/h5-8,12,20H,1-4H3.
What are the key properties of 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
3,5-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 3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 43765047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).