4-(anilinooxymethyl)-2-chloroaniline

C13H13ClN2O — CID 88830328

IUPAC4-(anilinooxymethyl)-2-chloroaniline
SMILESNc1ccc(CONc2ccccc2)cc1Cl
InChIInChI=1S/C13H13ClN2O/c14-12-8-10(6-7-13(12)15)9-17-16-11-4-2-1-3-5-11/h1-8,16H,9,15H2
InChIKeyYGIRHPZTKBHSRA-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.47
Rot. Bonds4

About 4-(anilinooxymethyl)-2-chloroaniline

4-(anilinooxymethyl)-2-chloroaniline (PubChem CID 88830328) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-(anilinooxymethyl)-2-chloroaniline.

Molecular Properties

Compound Name4-(anilinooxymethyl)-2-chloroaniline
PubChem CID88830328
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-(anilinooxymethyl)-2-chloroaniline
SMILESNc1ccc(CONc2ccccc2)cc1Cl
InChIInChI=1S/C13H13ClN2O/c14-12-8-10(6-7-13(12)15)9-17-16-11-4-2-1-3-5-11/h1-8,16H,9,15H2
InChIKeyYGIRHPZTKBHSRA-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinooxymethyl)-2-chloroaniline?
The IUPAC name of 4-(anilinooxymethyl)-2-chloroaniline (CID 88830328) is 4-(anilinooxymethyl)-2-chloroaniline.
What is the SMILES notation for 4-(anilinooxymethyl)-2-chloroaniline?
The canonical SMILES for 4-(anilinooxymethyl)-2-chloroaniline is Nc1ccc(CONc2ccccc2)cc1Cl.
What is the InChIKey of 4-(anilinooxymethyl)-2-chloroaniline?
The InChIKey is YGIRHPZTKBHSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-8-10(6-7-13(12)15)9-17-16-11-4-2-1-3-5-11/h1-8,16H,9,15H2.
What are the key properties of 4-(anilinooxymethyl)-2-chloroaniline?
4-(anilinooxymethyl)-2-chloroaniline has a molecular weight of 248.71 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinooxymethyl)-2-chloroaniline is sourced from PubChem (CID 88830328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).