2-[2-(4-bromophenyl)ethylamino]ethanol

C10H14BrNO — CID 66961062

IUPAC2-[2-(4-bromophenyl)ethylamino]ethanol
SMILESOCCNCCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8H2
InChIKeyUQTFDGRFSIOWGV-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.57
Rot. Bonds5

About 2-[2-(4-bromophenyl)ethylamino]ethanol

2-[2-(4-bromophenyl)ethylamino]ethanol (PubChem CID 66961062) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethylamino]ethanol
PubChem CID66961062
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-[2-(4-bromophenyl)ethylamino]ethanol
SMILESOCCNCCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8H2
InChIKeyUQTFDGRFSIOWGV-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-bromophenyl)ethylamino]ethanol (CID 66961062) is 2-[2-(4-bromophenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-bromophenyl)ethylamino]ethanol is OCCNCCc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethylamino]ethanol?
The InChIKey is UQTFDGRFSIOWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8H2.
What are the key properties of 2-[2-(4-bromophenyl)ethylamino]ethanol?
2-[2-(4-bromophenyl)ethylamino]ethanol has a molecular weight of 244.13 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethylamino]ethanol is sourced from PubChem (CID 66961062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).