1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

C11H16ClNO2 — CID 13458308

IUPAC1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c1-13(6-7-14)8-11(15)9-2-4-10(12)5-3-9/h2-5,11,14-15H,6-8H2,1H3
InChIKeyDYEGKYGCVXRREB-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.30
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 13458308) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID13458308
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c1-13(6-7-14)8-11(15)9-2-4-10(12)5-3-9/h2-5,11,14-15H,6-8H2,1H3
InChIKeyDYEGKYGCVXRREB-UHFFFAOYSA-N
XLogP1.30
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (CID 13458308) is 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is CN(CCO)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is DYEGKYGCVXRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-13(6-7-14)8-11(15)9-2-4-10(12)5-3-9/h2-5,11,14-15H,6-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 13458308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).