1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone

C13H18ClNO2 — CID 82101457

IUPAC1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
SMILESCCOCCCNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-2-17-9-3-8-15-10-13(16)11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChIKeyLDIPWTWKZKJSSY-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.54
Rot. Bonds8

About 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone

1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone (PubChem CID 82101457) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
PubChem CID82101457
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
SMILESCCOCCCNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-2-17-9-3-8-15-10-13(16)11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3
InChIKeyLDIPWTWKZKJSSY-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.54
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

2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
CID 82101433
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100415
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
CID 21290714
2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone
CID 82102123
2-(3-butoxypropylamino)-1-(4-nitrophenyl)ethanone
CID 82101568
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone (CID 82101457) is 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone is CCOCCCNCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone?
The InChIKey is LDIPWTWKZKJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-17-9-3-8-15-10-13(16)11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone?
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone has a molecular weight of 255.75 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone is sourced from PubChem (CID 82101457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).