2-(4-bromo-N-ethylanilino)ethanol

C10H14BrNO — CID 18941473

IUPAC2-(4-bromo-N-ethylanilino)ethanol
SMILESCCN(CCO)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyXTWWRGOQMNJAOI-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.27
Rot. Bonds4

About 2-(4-bromo-N-ethylanilino)ethanol

2-(4-bromo-N-ethylanilino)ethanol (PubChem CID 18941473) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(4-bromo-N-ethylanilino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-N-ethylanilino)ethanol
PubChem CID18941473
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(4-bromo-N-ethylanilino)ethanol
SMILESCCN(CCO)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyXTWWRGOQMNJAOI-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-ethylanilino)ethanol?
The IUPAC name of 2-(4-bromo-N-ethylanilino)ethanol (CID 18941473) is 2-(4-bromo-N-ethylanilino)ethanol.
What is the SMILES notation for 2-(4-bromo-N-ethylanilino)ethanol?
The canonical SMILES for 2-(4-bromo-N-ethylanilino)ethanol is CCN(CCO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-N-ethylanilino)ethanol?
The InChIKey is XTWWRGOQMNJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 2-(4-bromo-N-ethylanilino)ethanol?
2-(4-bromo-N-ethylanilino)ethanol has a molecular weight of 244.13 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-ethylanilino)ethanol is sourced from PubChem (CID 18941473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).