3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine

C15H15Cl3N2O — CID 102753582

IUPAC3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(OC)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N2O/c1-3-6-19-15-12(18)8-11(17)14(20-15)9-4-5-10(16)13(7-9)21-2/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)
InChIKeyAJGNIUAFIMYENM-UHFFFAOYSA-N
MW345.66 g/mol
LogP5.54
Rot. Bonds5

About 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine

3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine (PubChem CID 102753582) has the molecular formula C15H15Cl3N2O and a molecular weight of 345.66 g/mol. Its IUPAC name is 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
PubChem CID102753582
Molecular FormulaC15H15Cl3N2O
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC Name3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(OC)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N2O/c1-3-6-19-15-12(18)8-11(17)14(20-15)9-4-5-10(16)13(7-9)21-2/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)
InChIKeyAJGNIUAFIMYENM-UHFFFAOYSA-N
XLogP5.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.66
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
CID 102753546
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
CID 102753661
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
CID 103341839
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798
3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102753760

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine (CID 102753582) is 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine is CCCNc1nc(-c2ccc(Cl)c(OC)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine?
The InChIKey is AJGNIUAFIMYENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2O/c1-3-6-19-15-12(18)8-11(17)14(20-15)9-4-5-10(16)13(7-9)21-2/h4-5,7-8H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine has a molecular weight of 345.66 g/mol, XLogP of 5.54, 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-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102753582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).