4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline

C14H14Cl2N2O — CID 61027583

IUPAC4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2c(Cl)cc(C)nc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O/c1-9-7-13(15)12(14(16)18-9)8-19-11-5-3-10(17-2)4-6-11/h3-7,17H,8H2,1-2H3
InChIKeyBZYWJQJWEUTEQB-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.32
Rot. Bonds4

About 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline

4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline (PubChem CID 61027583) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline
PubChem CID61027583
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2c(Cl)cc(C)nc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O/c1-9-7-13(15)12(14(16)18-9)8-19-11-5-3-10(17-2)4-6-11/h3-7,17H,8H2,1-2H3
InChIKeyBZYWJQJWEUTEQB-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline?
The IUPAC name of 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline (CID 61027583) is 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline.
What is the SMILES notation for 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline?
The canonical SMILES for 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline is CNc1ccc(OCc2c(Cl)cc(C)nc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline?
The InChIKey is BZYWJQJWEUTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9-7-13(15)12(14(16)18-9)8-19-11-5-3-10(17-2)4-6-11/h3-7,17H,8H2,1-2H3.
What are the key properties of 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline?
4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline has a molecular weight of 297.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloro-6-methyl-3-pyridinyl)methoxy]-N-methylaniline is sourced from PubChem (CID 61027583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).