2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol

C11H15BrN2O4 — CID 114381269

IUPAC2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol
SMILESO=[N+]([O-])c1cc(Br)ccc1CNCCOCCO
InChIInChI=1S/C11H15BrN2O4/c12-10-2-1-9(11(7-10)14(16)17)8-13-3-5-18-6-4-15/h1-2,7,13,15H,3-6,8H2
InChIKeyQUGFKLJECOLJFJ-UHFFFAOYSA-N
MW319.16 g/mol
LogP1.46
Rot. Bonds8

About 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol

2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol (PubChem CID 114381269) has the molecular formula C11H15BrN2O4 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol
PubChem CID114381269
Molecular FormulaC11H15BrN2O4
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC Name2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol
SMILESO=[N+]([O-])c1cc(Br)ccc1CNCCOCCO
InChIInChI=1S/C11H15BrN2O4/c12-10-2-1-9(11(7-10)14(16)17)8-13-3-5-18-6-4-15/h1-2,7,13,15H,3-6,8H2
InChIKeyQUGFKLJECOLJFJ-UHFFFAOYSA-N
XLogP1.46
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 51.46
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

2-[2-(4-bromo-2-nitroanilino)ethoxy]ethanol
CID 60646233
N-[(4-bromo-2-nitrophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 114381520
N-[(5-bromo-2-nitrophenyl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952761
3-[(4-bromo-2-nitrophenyl)methylamino]propane-1-sulfonamide
CID 114385628
N-[(5-bromo-2-nitrophenyl)methyl]-2-but-3-enoxyethanamine
CID 103859207
3-[(4-bromo-2-nitrophenyl)methylamino]-N-tert-butylpropanamide
CID 114381505
2-[(4-bromo-2-nitrophenyl)methylamino]-3-methoxypropan-1-ol
CID 106187364
ethyl 4-[(4-bromo-2-nitrophenyl)methylamino]butanoate
CID 114381346
2-[(4-bromo-2-nitrophenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335284
N-[(4-bromo-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 114381112
N-[(4-bromo-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 114381150
(4-bromo-2-nitrophenyl)methylhydrazine
CID 114380923

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol (CID 114381269) is 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol is O=[N+]([O-])c1cc(Br)ccc1CNCCOCCO.
What is the InChIKey of 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol?
The InChIKey is QUGFKLJECOLJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4/c12-10-2-1-9(11(7-10)14(16)17)8-13-3-5-18-6-4-15/h1-2,7,13,15H,3-6,8H2.
What are the key properties of 2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol?
2-[2-[(4-bromo-2-nitrophenyl)methylamino]ethoxy]ethanol has a molecular weight of 319.16 g/mol, XLogP of 1.46, 8 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-nitrophenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 114381269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).