1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one

C13H17Cl2NO2 — CID 114079722

IUPAC1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
SMILESCCN(CCO)CCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-2-16(8-9-17)7-6-12(18)10-4-3-5-11(14)13(10)15/h3-5,17H,2,6-9H2,1H3
InChIKeyZTQSVDZOAKDLGM-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.88
Rot. Bonds7

About 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one

1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one (PubChem CID 114079722) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
PubChem CID114079722
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
SMILESCCN(CCO)CCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-2-16(8-9-17)7-6-12(18)10-4-3-5-11(14)13(10)15/h3-5,17H,2,6-9H2,1H3
InChIKeyZTQSVDZOAKDLGM-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
CID 114079709
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70719148
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
CID 114079761
3-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 62052603
1-(2,3-dichlorophenyl)-4-(methylamino)butan-1-one
CID 116555585
1-(2,3-dichlorophenyl)-2-propoxyethanone
CID 62789930
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
CID 113228358
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one (CID 114079722) is 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one is CCN(CCO)CCC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one?
The InChIKey is ZTQSVDZOAKDLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-2-16(8-9-17)7-6-12(18)10-4-3-5-11(14)13(10)15/h3-5,17H,2,6-9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one?
1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one has a molecular weight of 290.19 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one is sourced from PubChem (CID 114079722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).