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

C14H19Cl2NO2 — CID 61446505

IUPAC1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
SMILESCCN(CCOC)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-4-17(7-8-19-3)10(2)14(18)12-6-5-11(15)9-13(12)16/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyKYTLCYLHEFAOEU-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.53
Rot. Bonds7

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

1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one (PubChem CID 61446505) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
PubChem CID61446505
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
SMILESCCN(CCOC)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-4-17(7-8-19-3)10(2)14(18)12-6-5-11(15)9-13(12)16/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyKYTLCYLHEFAOEU-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
CID 63696693
3-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285129
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
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)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one (CID 61446505) is 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one is CCN(CCOC)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one?
The InChIKey is KYTLCYLHEFAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-4-17(7-8-19-3)10(2)14(18)12-6-5-11(15)9-13(12)16/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one?
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one has a molecular weight of 304.22 g/mol, XLogP of 3.53, 7 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-[ethyl(2-methoxyethyl)amino]propan-1-one is sourced from PubChem (CID 61446505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).