2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol

C10H12Br3NO2 — CID 61070527

IUPAC2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol
SMILESOCCOCCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H12Br3NO2/c11-7-5-8(12)10(9(13)6-7)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2
InChIKeyFCSAINDJKOKHSL-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.39
Rot. Bonds6

About 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol

2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol (PubChem CID 61070527) has the molecular formula C10H12Br3NO2 and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol
PubChem CID61070527
Molecular FormulaC10H12Br3NO2
Molecular Weight417.92 g/mol
Exact Mass414.84
IUPAC Name2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol
SMILESOCCOCCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H12Br3NO2/c11-7-5-8(12)10(9(13)6-7)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2
InChIKeyFCSAINDJKOKHSL-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dibromoanilino)ethoxy]ethanol
CID 107599049
2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
CID 61070702
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 114880954
N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
2-[2-(2,3,5-trifluoroanilino)ethoxy]ethanol
CID 62810263
2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol
CID 60646233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol (CID 61070527) is 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol is OCCOCCNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol?
The InChIKey is FCSAINDJKOKHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br3NO2/c11-7-5-8(12)10(9(13)6-7)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2.
What are the key properties of 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol?
2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol has a molecular weight of 417.92 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol is sourced from PubChem (CID 61070527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).