2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine

C13H12Cl2N2O — CID 79250827

IUPAC2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-16-9-5-6-17-10(7-9)8-18-12-4-2-3-11(14)13(12)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDCIUFISFWGJPEY-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.01
Rot. Bonds4

About 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine

2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine (PubChem CID 79250827) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
PubChem CID79250827
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H12Cl2N2O/c1-16-9-5-6-17-10(7-9)8-18-12-4-2-3-11(14)13(12)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDCIUFISFWGJPEY-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine (CID 79250827) is 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine is CNc1ccnc(COc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine?
The InChIKey is DCIUFISFWGJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-16-9-5-6-17-10(7-9)8-18-12-4-2-3-11(14)13(12)15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine?
2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine has a molecular weight of 283.16 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79250827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).