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'}

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Related Compounds

1-(2,3-dichlorophenyl)-2-propoxyethanone
CID 62789930
1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
2,3-dichlorobenzamide;hydron
CID 69226563
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514948
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
2-(2-aminoethoxy)-1-(4-amino-3-pyridinyl)ethanone
CID 116590825
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821

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).