2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone

C10H11Cl2NO2 — CID 116590901

IUPAC2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone
SMILESNCCOCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO2/c11-8-3-1-2-7(10(8)12)9(14)6-15-5-4-13/h1-3H,4-6,13H2
InChIKeyKYDLFOURDVWGHH-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.15
Rot. Bonds5

About 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone

2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone (PubChem CID 116590901) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone
PubChem CID116590901
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone
SMILESNCCOCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO2/c11-8-3-1-2-7(10(8)12)9(14)6-15-5-4-13/h1-3H,4-6,13H2
InChIKeyKYDLFOURDVWGHH-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone (CID 116590901) is 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone is NCCOCC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone?
The InChIKey is KYDLFOURDVWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-8-3-1-2-7(10(8)12)9(14)6-15-5-4-13/h1-3H,4-6,13H2.
What are the key properties of 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone?
2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone has a molecular weight of 248.11 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 116590901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).