1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H12Cl2N2O — CID 55058802

IUPAC1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C13H12Cl2N2O/c1-16-7-9-2-5-13(17-8-9)18-12-4-3-10(14)6-11(12)15/h2-6,8,16H,7H2,1H3
InChIKeyFMVKPZFPOQQPJS-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.90
Rot. Bonds4

About 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 55058802) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID55058802
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C13H12Cl2N2O/c1-16-7-9-2-5-13(17-8-9)18-12-4-3-10(14)6-11(12)15/h2-6,8,16H,7H2,1H3
InChIKeyFMVKPZFPOQQPJS-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 55058802) is 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is FMVKPZFPOQQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-16-7-9-2-5-13(17-8-9)18-12-4-3-10(14)6-11(12)15/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 283.16 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55058802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).