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

C11H14ClNO2 — CID 82101433

IUPAC1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
SMILESO=C(CNCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-10-4-2-9(3-5-10)11(15)8-13-6-1-7-14/h2-5,13-14H,1,6-8H2
InChIKeyXICGNONOSXONRO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.49
Rot. Bonds6

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

1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone (PubChem CID 82101433) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
PubChem CID82101433
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone
SMILESO=C(CNCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-10-4-2-9(3-5-10)11(15)8-13-6-1-7-14/h2-5,13-14H,1,6-8H2
InChIKeyXICGNONOSXONRO-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
1-(4-chlorophenyl)-2-(3-ethoxypropylamino)ethanone
CID 82101457
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101293
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone (CID 82101433) is 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone is O=C(CNCCCO)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone?
The InChIKey is XICGNONOSXONRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-4-2-9(3-5-10)11(15)8-13-6-1-7-14/h2-5,13-14H,1,6-8H2.
What are the key properties of 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone?
1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone has a molecular weight of 227.69 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-hydroxypropylamino)ethanone is sourced from PubChem (CID 82101433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).