1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

C12H18Cl2N2O — CID 82313283

IUPAC1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-16(2)6-5-15-8-12(17)10-4-3-9(13)7-11(10)14/h3-4,7,12,15,17H,5-6,8H2,1-2H3
InChIKeyWHLYMQCESISFBL-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.18
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol

1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 82313283) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID82313283
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-16(2)6-5-15-8-12(17)10-4-3-9(13)7-11(10)14/h3-4,7,12,15,17H,5-6,8H2,1-2H3
InChIKeyWHLYMQCESISFBL-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.18
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

3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881
3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83120511
1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
CID 111466747
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 80502462

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 82313283) is 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is CN(C)CCNCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is WHLYMQCESISFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-16(2)6-5-15-8-12(17)10-4-3-9(13)7-11(10)14/h3-4,7,12,15,17H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 277.19 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 82313283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).