3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine

C14H14Cl2N2O2 — CID 57398737

IUPAC3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3,(H2,17,18)
InChIKeyUJIPJTLUQGJUFA-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.74
Rot. Bonds5

About 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine

3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine (PubChem CID 57398737) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine
PubChem CID57398737
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3,(H2,17,18)
InChIKeyUJIPJTLUQGJUFA-UHFFFAOYSA-N
XLogP3.74
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine (CID 57398737) is 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine is Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(N)n1.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine?
The InChIKey is UJIPJTLUQGJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3,(H2,17,18).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine?
3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine has a molecular weight of 313.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridin-2-amine is sourced from PubChem (CID 57398737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).