1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol

C10H13Cl2NO — CID 15501082

IUPAC1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13(2)6-10(14)8-4-3-7(11)5-9(8)12/h3-5,10,14H,6H2,1-2H3
InChIKeyIIZNGLIUZPFENY-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.59
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol

1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol (PubChem CID 15501082) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
PubChem CID15501082
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13(2)6-10(14)8-4-3-7(11)5-9(8)12/h3-5,10,14H,6H2,1-2H3
InChIKeyIIZNGLIUZPFENY-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 110017074
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
CID 3246100
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
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-(dimethylamino)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol (CID 15501082) is 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol is CN(C)CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol?
The InChIKey is IIZNGLIUZPFENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13(2)6-10(14)8-4-3-7(11)5-9(8)12/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol?
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol has a molecular weight of 234.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 15501082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).