4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline

C13H14N2O2 — CID 106504339

IUPAC4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline
SMILESCOc1ccc(Oc2ccc(N)cc2C)nc1
InChIInChI=1S/C13H14N2O2/c1-9-7-10(14)3-5-12(9)17-13-6-4-11(16-2)8-15-13/h3-8H,14H2,1-2H3
InChIKeyDDAGDCAVUFFOCV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.77
Rot. Bonds3

About 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline

4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline (PubChem CID 106504339) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline.

Molecular Properties

Compound Name4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline
PubChem CID106504339
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline
SMILESCOc1ccc(Oc2ccc(N)cc2C)nc1
InChIInChI=1S/C13H14N2O2/c1-9-7-10(14)3-5-12(9)17-13-6-4-11(16-2)8-15-13/h3-8H,14H2,1-2H3
InChIKeyDDAGDCAVUFFOCV-UHFFFAOYSA-N
XLogP2.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.77
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-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline?
The IUPAC name of 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline (CID 106504339) is 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline.
What is the SMILES notation for 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline?
The canonical SMILES for 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline is COc1ccc(Oc2ccc(N)cc2C)nc1.
What is the InChIKey of 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline?
The InChIKey is DDAGDCAVUFFOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-7-10(14)3-5-12(9)17-13-6-4-11(16-2)8-15-13/h3-8H,14H2,1-2H3.
What are the key properties of 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline?
4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline has a molecular weight of 230.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-2-pyridinyl)oxy]-3-methylaniline is sourced from PubChem (CID 106504339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).