2-[2-(2,6-dibromoanilino)ethoxy]ethanol

C10H13Br2NO2 — CID 107599049

IUPAC2-[2-(2,6-dibromoanilino)ethoxy]ethanol
SMILESOCCOCCNc1c(Br)cccc1Br
InChIInChI=1S/C10H13Br2NO2/c11-8-2-1-3-9(12)10(8)13-4-6-15-7-5-14/h1-3,13-14H,4-7H2
InChIKeyPLEYTEAGXLTLMQ-UHFFFAOYSA-N
MW339.03 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-(2,6-dibromoanilino)ethoxy]ethanol

2-[2-(2,6-dibromoanilino)ethoxy]ethanol (PubChem CID 107599049) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 2-[2-(2,6-dibromoanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,6-dibromoanilino)ethoxy]ethanol
PubChem CID107599049
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name2-[2-(2,6-dibromoanilino)ethoxy]ethanol
SMILESOCCOCCNc1c(Br)cccc1Br
InChIInChI=1S/C10H13Br2NO2/c11-8-2-1-3-9(12)10(8)13-4-6-15-7-5-14/h1-3,13-14H,4-7H2
InChIKeyPLEYTEAGXLTLMQ-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 52.63
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-(2,4,6-tribromoanilino)ethoxy]ethanol
CID 61070527
2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 114880954
2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
CID 61070702
2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 107599146
2-[2-(2-hydroxyethoxy)ethylamino]-3-methoxybenzonitrile
CID 107467521
2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524350
2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
CID 54067877
2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol
CID 28727255
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dibromoanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,6-dibromoanilino)ethoxy]ethanol (CID 107599049) is 2-[2-(2,6-dibromoanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,6-dibromoanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,6-dibromoanilino)ethoxy]ethanol is OCCOCCNc1c(Br)cccc1Br.
What is the InChIKey of 2-[2-(2,6-dibromoanilino)ethoxy]ethanol?
The InChIKey is PLEYTEAGXLTLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c11-8-2-1-3-9(12)10(8)13-4-6-15-7-5-14/h1-3,13-14H,4-7H2.
What are the key properties of 2-[2-(2,6-dibromoanilino)ethoxy]ethanol?
2-[2-(2,6-dibromoanilino)ethoxy]ethanol has a molecular weight of 339.03 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dibromoanilino)ethoxy]ethanol is sourced from PubChem (CID 107599049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).