1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one

C15H21Cl2NO2 — CID 63696693

IUPAC1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
SMILESCCOCCN(CC)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-4-18(8-9-20-5-2)11(3)15(19)13-7-6-12(16)10-14(13)17/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyQHMBXHLZOHMBKT-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.92
Rot. Bonds8

About 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one

1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one (PubChem CID 63696693) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
PubChem CID63696693
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
SMILESCCOCCN(CC)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-4-18(8-9-20-5-2)11(3)15(19)13-7-6-12(16)10-14(13)17/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyQHMBXHLZOHMBKT-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
3-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285129
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696100
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63567175
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
1-(2,4-dichlorophenyl)-5-ethoxypentane-1,3-dione
CID 43321488
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
CID 114263936
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one (CID 63696693) is 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one is CCOCCN(CC)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one?
The InChIKey is QHMBXHLZOHMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-4-18(8-9-20-5-2)11(3)15(19)13-7-6-12(16)10-14(13)17/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one?
1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one has a molecular weight of 318.24 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one is sourced from PubChem (CID 63696693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).