2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol

C10H13BrN2O4 — CID 60646233

IUPAC2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol
SMILESO=[N+]([O-])c1cc(Br)ccc1NCCOCCO
InChIInChI=1S/C10H13BrN2O4/c11-8-1-2-9(10(7-8)13(15)16)12-3-5-17-6-4-14/h1-2,7,12,14H,3-6H2
InChIKeyLBIYGZXYRFKSQT-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.78
Rot. Bonds7

About 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol

2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol (PubChem CID 60646233) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol
PubChem CID60646233
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Name2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol
SMILESO=[N+]([O-])c1cc(Br)ccc1NCCOCCO
InChIInChI=1S/C10H13BrN2O4/c11-8-1-2-9(10(7-8)13(15)16)12-3-5-17-6-4-14/h1-2,7,12,14H,3-6H2
InChIKeyLBIYGZXYRFKSQT-UHFFFAOYSA-N
XLogP1.78
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-bromo-2-nitroaniline
CID 135259095
4-[2-(2-hydroxyethoxy)ethylamino]-3-nitrobenzonitrile
CID 19828933
2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol
CID 114381269
4-bromo-N-(2-cyclohexyloxyethyl)-2-nitroaniline
CID 63828256
ethane;methyl 3-(4-bromo-2-nitroanilino)propanoate
CID 142039549
2-(4-bromo-2-nitroanilino)ethanesulfonamide
CID 43552407
tert-butyl N-[2-(4-bromo-2-nitroanilino)ethyl]carbamate
CID 67293348
5-bromo-N-(2-but-3-enoxyethyl)-2-nitroaniline
CID 103853707
2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
CID 54067877
4-[3-(2-hydroxyethoxy)propylamino]-N-methyl-3-nitrobenzamide
CID 103990481
4-bromo-2-nitro-N-(2-phenylethyl)aniline
CID 24902950
4-bromo-2-nitro-N-(2-phenylsulfanylethyl)aniline
CID 60667122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol (CID 60646233) is 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol is O=[N+]([O-])c1cc(Br)ccc1NCCOCCO.
What is the InChIKey of 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol?
The InChIKey is LBIYGZXYRFKSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c11-8-1-2-9(10(7-8)13(15)16)12-3-5-17-6-4-14/h1-2,7,12,14H,3-6H2.
What are the key properties of 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol?
2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol has a molecular weight of 305.13 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol is sourced from PubChem (CID 60646233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).