1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol

C16H18Cl2N2O — CID 110017074

IUPAC1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
SMILESCN(CCc1ccncc1)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-20(9-6-12-4-7-19-8-5-12)11-16(21)14-3-2-13(17)10-15(14)18/h2-5,7-8,10,16,21H,6,9,11H2,1H3
InChIKeyHJTVNQGEPQAUSR-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.60
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol

1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol (PubChem CID 110017074) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
PubChem CID110017074
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
SMILESCN(CCc1ccncc1)CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-20(9-6-12-4-7-19-8-5-12)11-16(21)14-3-2-13(17)10-15(14)18/h2-5,7-8,10,16,21H,6,9,11H2,1H3
InChIKeyHJTVNQGEPQAUSR-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol
CID 162200310
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol (CID 110017074) is 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol is CN(CCc1ccncc1)CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
The InChIKey is HJTVNQGEPQAUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-20(9-6-12-4-7-19-8-5-12)11-16(21)14-3-2-13(17)10-15(14)18/h2-5,7-8,10,16,21H,6,9,11H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol has a molecular weight of 325.24 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 110017074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).