2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol

C11H15Cl2NO2 — CID 783950

IUPAC2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c12-10-2-1-9(7-11(10)13)8-14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2
InChIKeyYXYOXGSDQLJFDP-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.78
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 783950) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID783950
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c12-10-2-1-9(7-11(10)13)8-14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2
InChIKeyYXYOXGSDQLJFDP-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 783950) is 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YXYOXGSDQLJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-10-2-1-9(7-11(10)13)8-14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 264.15 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 783950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).