4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine

C14H14Cl2N2O — CID 62466550

IUPAC4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C14H14Cl2N2O/c1-2-17-13-8-10(6-7-18-13)9-19-14-11(15)4-3-5-12(14)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyFBEBSIYEMAEEQU-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.40
Rot. Bonds5

About 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine

4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 62466550) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID62466550
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C14H14Cl2N2O/c1-2-17-13-8-10(6-7-18-13)9-19-14-11(15)4-3-5-12(14)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyFBEBSIYEMAEEQU-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine (CID 62466550) is 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1cc(COc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is FBEBSIYEMAEEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-17-13-8-10(6-7-18-13)9-19-14-11(15)4-3-5-12(14)16/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine?
4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 297.19 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62466550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).