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

C11H16ClNO2 — CID 784418

IUPAC2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2
InChIKeyMKGGXTPUSBBBSN-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.13
Rot. Bonds6

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

2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 784418) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID784418
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2
InChIKeyMKGGXTPUSBBBSN-UHFFFAOYSA-N
XLogP1.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 784418) is 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is MKGGXTPUSBBBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-11-3-1-10(2-4-11)9-13(5-7-14)6-8-15/h1-4,14-15H,5-9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 784418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).