2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide

C13H19BrN2O3 — CID 114883463

IUPAC2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCOc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C13H19BrN2O3/c1-2-3-7-18-8-9-19-11-6-4-5-10(14)12(11)13(15)16-17/h4-6,17H,2-3,7-9H2,1H3,(H2,15,16)
InChIKeyIATLYXLLUAXTFM-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.74
Rot. Bonds8

About 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide

2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114883463) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114883463
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCOc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C13H19BrN2O3/c1-2-3-7-18-8-9-19-11-6-4-5-10(14)12(11)13(15)16-17/h4-6,17H,2-3,7-9H2,1H3,(H2,15,16)
InChIKeyIATLYXLLUAXTFM-UHFFFAOYSA-N
XLogP2.74
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 106447734
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide (CID 114883463) is 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide is CCCCOCCOc1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is IATLYXLLUAXTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-2-3-7-18-8-9-19-11-6-4-5-10(14)12(11)13(15)16-17/h4-6,17H,2-3,7-9H2,1H3,(H2,15,16).
What are the key properties of 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide?
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 331.21 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).