2,6-dichloro-3-methoxy-4-phenoxyaniline

C13H11Cl2NO2 — CID 88611773

IUPAC2,6-dichloro-3-methoxy-4-phenoxyaniline
SMILESCOc1c(Oc2ccccc2)cc(Cl)c(N)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-17-13-10(7-9(14)12(16)11(13)15)18-8-5-3-2-4-6-8/h2-7H,16H2,1H3
InChIKeyAPURBICRSCYOBE-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.38
Rot. Bonds3

About 2,6-dichloro-3-methoxy-4-phenoxyaniline

2,6-dichloro-3-methoxy-4-phenoxyaniline (PubChem CID 88611773) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2,6-dichloro-3-methoxy-4-phenoxyaniline.

Molecular Properties

Compound Name2,6-dichloro-3-methoxy-4-phenoxyaniline
PubChem CID88611773
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name2,6-dichloro-3-methoxy-4-phenoxyaniline
SMILESCOc1c(Oc2ccccc2)cc(Cl)c(N)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-17-13-10(7-9(14)12(16)11(13)15)18-8-5-3-2-4-6-8/h2-7H,16H2,1H3
InChIKeyAPURBICRSCYOBE-UHFFFAOYSA-N
XLogP4.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methoxy-4-phenoxyaniline?
The IUPAC name of 2,6-dichloro-3-methoxy-4-phenoxyaniline (CID 88611773) is 2,6-dichloro-3-methoxy-4-phenoxyaniline.
What is the SMILES notation for 2,6-dichloro-3-methoxy-4-phenoxyaniline?
The canonical SMILES for 2,6-dichloro-3-methoxy-4-phenoxyaniline is COc1c(Oc2ccccc2)cc(Cl)c(N)c1Cl.
What is the InChIKey of 2,6-dichloro-3-methoxy-4-phenoxyaniline?
The InChIKey is APURBICRSCYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-17-13-10(7-9(14)12(16)11(13)15)18-8-5-3-2-4-6-8/h2-7H,16H2,1H3.
What are the key properties of 2,6-dichloro-3-methoxy-4-phenoxyaniline?
2,6-dichloro-3-methoxy-4-phenoxyaniline has a molecular weight of 284.14 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methoxy-4-phenoxyaniline is sourced from PubChem (CID 88611773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).