4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline

C15H18N2O2 — CID 63993109

IUPAC4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
SMILESCOc1cccc(COc2cc(C)c(N)cc2C)n1
InChIInChI=1S/C15H18N2O2/c1-10-8-14(11(2)7-13(10)16)19-9-12-5-4-6-15(17-12)18-3/h4-8H,9,16H2,1-3H3
InChIKeyIHKFLWHGSUSJLI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.87
Rot. Bonds4

About 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline

4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline (PubChem CID 63993109) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
PubChem CID63993109
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
SMILESCOc1cccc(COc2cc(C)c(N)cc2C)n1
InChIInChI=1S/C15H18N2O2/c1-10-8-14(11(2)7-13(10)16)19-9-12-5-4-6-15(17-12)18-3/h4-8H,9,16H2,1-3H3
InChIKeyIHKFLWHGSUSJLI-UHFFFAOYSA-N
XLogP2.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline?
The IUPAC name of 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline (CID 63993109) is 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline.
What is the SMILES notation for 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline?
The canonical SMILES for 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline is COc1cccc(COc2cc(C)c(N)cc2C)n1.
What is the InChIKey of 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline?
The InChIKey is IHKFLWHGSUSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-8-14(11(2)7-13(10)16)19-9-12-5-4-6-15(17-12)18-3/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline?
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline has a molecular weight of 258.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline is sourced from PubChem (CID 63993109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).