1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol

C13H19Cl2NO2 — CID 63934394

IUPAC1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-2-18-9-12(17)8-16-6-5-10-3-4-11(14)7-13(10)15/h3-4,7,12,16-17H,2,5-6,8-9H2,1H3
InChIKeyPCGXMSZDUOKEAE-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.52
Rot. Bonds8

About 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol

1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol (PubChem CID 63934394) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
PubChem CID63934394
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO2/c1-2-18-9-12(17)8-16-6-5-10-3-4-11(14)7-13(10)15/h3-4,7,12,16-17H,2,5-6,8-9H2,1H3
InChIKeyPCGXMSZDUOKEAE-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.52
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-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 60897738
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714746
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
1-(2,4-dichlorophenyl)-3-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]propan-2-one
CID 70291265
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol (CID 63934394) is 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol?
The InChIKey is PCGXMSZDUOKEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-2-18-9-12(17)8-16-6-5-10-3-4-11(14)7-13(10)15/h3-4,7,12,16-17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol?
1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63934394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).