5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine

C15H17ClN2OS — CID 63649715

IUPAC5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2ccccc2SC)n1
InChIInChI=1S/C15H17ClN2OS/c1-3-17-15-9-8-11(16)12(18-15)10-19-13-6-4-5-7-14(13)20-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyMSYFLUKDKHBZLB-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.47
Rot. Bonds6

About 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine (PubChem CID 63649715) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
PubChem CID63649715
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2ccccc2SC)n1
InChIInChI=1S/C15H17ClN2OS/c1-3-17-15-9-8-11(16)12(18-15)10-19-13-6-4-5-7-14(13)20-2/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyMSYFLUKDKHBZLB-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 63485313
5-chloro-6-[(2,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 63484940
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
CID 63485322
5-chloro-N-ethyl-6-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 63484955
5-chloro-N-ethyl-6-(1-phenylethoxymethyl)pyridin-2-amine
CID 62885810
5-chloro-6-(2,2-difluoroethoxymethyl)-N-ethylpyridin-2-amine
CID 82005693
5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486695
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
CID 63649178
5-chloro-6-[(2,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63273486
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389
5-chloro-N-ethyl-6-[2-(2-methylpropoxy)ethoxymethyl]pyridin-2-amine
CID 106449250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine (CID 63649715) is 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine is CCNc1ccc(Cl)c(COc2ccccc2SC)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine?
The InChIKey is MSYFLUKDKHBZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-17-15-9-8-11(16)12(18-15)10-19-13-6-4-5-7-14(13)20-2/h4-9H,3,10H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine has a molecular weight of 308.83 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(2-methylsulfanylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 63649715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).