2-(4-chloroanilino)ethanol

C8H10ClNO — CID 587825

IUPAC2-(4-chloroanilino)ethanol
SMILESOCCNc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2
InChIKeyFRJSZCNBYVMOTD-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-chloroanilino)ethanol

2-(4-chloroanilino)ethanol (PubChem CID 587825) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(4-chloroanilino)ethanol.

Molecular Properties

Compound Name2-(4-chloroanilino)ethanol
PubChem CID587825
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(4-chloroanilino)ethanol
SMILESOCCNc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2
InChIKeyFRJSZCNBYVMOTD-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)ethanol?
The IUPAC name of 2-(4-chloroanilino)ethanol (CID 587825) is 2-(4-chloroanilino)ethanol.
What is the SMILES notation for 2-(4-chloroanilino)ethanol?
The canonical SMILES for 2-(4-chloroanilino)ethanol is OCCNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)ethanol?
The InChIKey is FRJSZCNBYVMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-4,10-11H,5-6H2.
What are the key properties of 2-(4-chloroanilino)ethanol?
2-(4-chloroanilino)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)ethanol is sourced from PubChem (CID 587825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).