5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine

C15H15Cl2FN2O — CID 63486695

IUPAC5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H15Cl2FN2O/c1-2-7-19-15-6-4-11(16)13(20-15)9-21-14-5-3-10(18)8-12(14)17/h3-6,8H,2,7,9H2,1H3,(H,19,20)
InChIKeyZLRASQGOSPQIEL-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.93
Rot. Bonds6

About 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine

5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 63486695) has the molecular formula C15H15Cl2FN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID63486695
Molecular FormulaC15H15Cl2FN2O
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H15Cl2FN2O/c1-2-7-19-15-6-4-11(16)13(20-15)9-21-14-5-3-10(18)8-12(14)17/h3-6,8H,2,7,9H2,1H3,(H,19,20)
InChIKeyZLRASQGOSPQIEL-UHFFFAOYSA-N
XLogP4.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine (CID 63486695) is 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is ZLRASQGOSPQIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O/c1-2-7-19-15-6-4-11(16)13(20-15)9-21-14-5-3-10(18)8-12(14)17/h3-6,8H,2,7,9H2,1H3,(H,19,20).
What are the key properties of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine?
5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63486695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).