1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol

C14H14Cl2N2O — CID 111114875

IUPAC1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
SMILESOC(CNCc1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-11-1-2-12(13(16)7-11)14(19)9-18-8-10-3-5-17-6-4-10/h1-7,14,18-19H,8-9H2
InChIKeyOYSUOQCVAASIAW-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.21
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol

1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol (PubChem CID 111114875) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
PubChem CID111114875
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
SMILESOC(CNCc1ccncc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O/c15-11-1-2-12(13(16)7-11)14(19)9-18-8-10-3-5-17-6-4-10/h1-7,14,18-19H,8-9H2
InChIKeyOYSUOQCVAASIAW-UHFFFAOYSA-N
XLogP3.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
2-[(1-tert-butylpyrazol-4-yl)methylamino]-1-(2,4-dichlorophenyl)ethanol
CID 111114869
1-(2,4-dichlorophenyl)-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethanol
CID 111466747
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 54937792
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 110017074
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol (CID 111114875) is 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol is OC(CNCc1ccncc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol?
The InChIKey is OYSUOQCVAASIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c15-11-1-2-12(13(16)7-11)14(19)9-18-8-10-3-5-17-6-4-10/h1-7,14,18-19H,8-9H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol?
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol has a molecular weight of 297.19 g/mol, XLogP of 3.21, 5 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-(pyridin-4-ylmethylamino)ethanol is sourced from PubChem (CID 111114875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).