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

C16H18Cl2N2 — CID 43772215

IUPAC2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2cccc(Cl)c2Cl)c(C)n1
InChIInChI=1S/C16H18Cl2N2/c1-9-8-10(2)19-11(3)15(9)12(4)20-14-7-5-6-13(17)16(14)18/h5-8,12,20H,1-4H3
InChIKeyVLHWURYUCYDGBB-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.49
Rot. Bonds3

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

2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (PubChem CID 43772215) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
PubChem CID43772215
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2cccc(Cl)c2Cl)c(C)n1
InChIInChI=1S/C16H18Cl2N2/c1-9-8-10(2)19-11(3)15(9)12(4)20-14-7-5-6-13(17)16(14)18/h5-8,12,20H,1-4H3
InChIKeyVLHWURYUCYDGBB-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784897
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
2-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridin-3-amine
CID 43786326
2-N,2-N-dimethyl-3-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pyridine-2,3-diamine
CID 43784227
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
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 43771050
2,4-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43763919
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
(1S)-1-(4-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81348689

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline (CID 43772215) is 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2cccc(Cl)c2Cl)c(C)n1.
What is the InChIKey of 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
The InChIKey is VLHWURYUCYDGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-9-8-10(2)19-11(3)15(9)12(4)20-14-7-5-6-13(17)16(14)18/h5-8,12,20H,1-4H3.
What are the key properties of 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline?
2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline has a molecular weight of 309.24 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 43772215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).