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

C11H15Cl2NO — CID 60672346

IUPAC3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
SMILESOCCCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c12-10-3-2-9(11(13)8-10)4-6-14-5-1-7-15/h2-3,8,14-15H,1,4-7H2
InChIKeyHVKFZYBPWFLEDF-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.51
Rot. Bonds6

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

3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol (PubChem CID 60672346) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
PubChem CID60672346
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
SMILESOCCCNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c12-10-3-2-9(11(13)8-10)4-6-14-5-1-7-15/h2-3,8,14-15H,1,4-7H2
InChIKeyHVKFZYBPWFLEDF-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77025238
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
3-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269290
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol (CID 60672346) is 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol is OCCCNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
The InChIKey is HVKFZYBPWFLEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c12-10-3-2-9(11(13)8-10)4-6-14-5-1-7-15/h2-3,8,14-15H,1,4-7H2.
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 60672346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).