6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

C13H15Cl2NO2 — CID 79168481

IUPAC6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCC(Cl)=CCl)ccc21
InChIInChI=1S/C13H15Cl2NO2/c1-2-16-12-8-18-13-5-10(3-4-11(12)13)17-7-9(15)6-14/h3-6,12,16H,2,7-8H2,1H3
InChIKeyAYBOTVGTUAOFOM-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.43
Rot. Bonds5

About 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine

6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79168481) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79168481
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCC(Cl)=CCl)ccc21
InChIInChI=1S/C13H15Cl2NO2/c1-2-16-12-8-18-13-5-10(3-4-11(12)13)17-7-9(15)6-14/h3-6,12,16H,2,7-8H2,1H3
InChIKeyAYBOTVGTUAOFOM-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 79168481) is 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OCC(Cl)=CCl)ccc21.
What is the InChIKey of 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is AYBOTVGTUAOFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-2-16-12-8-18-13-5-10(3-4-11(12)13)17-7-9(15)6-14/h3-6,12,16H,2,7-8H2,1H3.
What are the key properties of 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine?
6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 288.17 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79168481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).