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

C13H20Cl2N2O — CID 60897738

IUPAC1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O/c1-17(2)9-12(18)8-16-6-5-10-3-4-11(14)7-13(10)15/h3-4,7,12,16,18H,5-6,8-9H2,1-2H3
InChIKeyGIKLDCLJCNCMRT-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.05
Rot. Bonds7

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

1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol (PubChem CID 60897738) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
PubChem CID60897738
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O/c1-17(2)9-12(18)8-16-6-5-10-3-4-11(14)7-13(10)15/h3-4,7,12,16,18H,5-6,8-9H2,1-2H3
InChIKeyGIKLDCLJCNCMRT-UHFFFAOYSA-N
XLogP2.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.05
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-ethoxypropan-2-ol
CID 63934394
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714746
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol (CID 60897738) is 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol?
The InChIKey is GIKLDCLJCNCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-17(2)9-12(18)8-16-6-5-10-3-4-11(14)7-13(10)15/h3-4,7,12,16,18H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol?
1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol has a molecular weight of 291.22 g/mol, XLogP of 2.05, 7 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-(dimethylamino)propan-2-ol is sourced from PubChem (CID 60897738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).