3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine

C15H15Cl2FN2O — CID 102989029

IUPAC3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1nc(Oc2cc(F)ccc2C)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-3-6-19-14-11(16)8-12(17)15(20-14)21-13-7-10(18)5-4-9(13)2/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)
InChIKeySQSLMMVHJUXZKJ-UHFFFAOYSA-N
MW329.20 g/mol
LogP5.45
Rot. Bonds5

About 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine

3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine (PubChem CID 102989029) has the molecular formula C15H15Cl2FN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
PubChem CID102989029
Molecular FormulaC15H15Cl2FN2O
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1nc(Oc2cc(F)ccc2C)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-3-6-19-14-11(16)8-12(17)15(20-14)21-13-7-10(18)5-4-9(13)2/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)
InChIKeySQSLMMVHJUXZKJ-UHFFFAOYSA-N
XLogP5.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.20
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(2,4-difluorophenoxy)-N-propylpyridin-2-amine
CID 102760578
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
3,5-dichloro-N-ethyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107171826
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
3,5-dichloro-6-(3-methylbutan-2-yloxy)-N-propylpyridin-2-amine
CID 102761074
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859
3,5-dichloro-6-[(4-chlorophenyl)methoxy]-N-propylpyridin-2-amine
CID 102761015

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine (CID 102989029) is 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine is CCCNc1nc(Oc2cc(F)ccc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine?
The InChIKey is SQSLMMVHJUXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O/c1-3-6-19-14-11(16)8-12(17)15(20-14)21-13-7-10(18)5-4-9(13)2/h4-5,7-8H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine?
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine is sourced from PubChem (CID 102989029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).