2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide

C13H19BrN2O3 — CID 106447734

IUPAC2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
SMILESCC(C)COCCOc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C13H19BrN2O3/c1-9(2)8-18-6-7-19-11-5-3-4-10(14)12(11)13(15)16-17/h3-5,9,17H,6-8H2,1-2H3,(H2,15,16)
InChIKeyYSXVDYSFYGHBPU-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.60
Rot. Bonds7

About 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide

2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide (PubChem CID 106447734) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
PubChem CID106447734
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
SMILESCC(C)COCCOc1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C13H19BrN2O3/c1-9(2)8-18-6-7-19-11-5-3-4-10(14)12(11)13(15)16-17/h3-5,9,17H,6-8H2,1-2H3,(H2,15,16)
InChIKeyYSXVDYSFYGHBPU-UHFFFAOYSA-N
XLogP2.60
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.60
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'}

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Related Compounds

2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 114883471
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
CID 114883423
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 106447668
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
3-bromo-4-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 106447645
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
2-fluoro-N'-hydroxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzenecarboximidamide
CID 107117708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide (CID 106447734) is 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide is CC(C)COCCOc1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The InChIKey is YSXVDYSFYGHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-9(2)8-18-6-7-19-11-5-3-4-10(14)12(11)13(15)16-17/h3-5,9,17H,6-8H2,1-2H3,(H2,15,16).
What are the key properties of 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide has a molecular weight of 331.21 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 106447734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).