2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide

C13H19ClN2O2 — CID 112587805

IUPAC2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCOC(C)(C)C
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)18-8-7-17-10-6-4-5-9(14)11(10)12(15)16/h4-6H,7-8H2,1-3H3,(H3,15,16)
InChIKeyDJRYKZAWODMZOU-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide

2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide (PubChem CID 112587805) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
PubChem CID112587805
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCOC(C)(C)C
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)18-8-7-17-10-6-4-5-9(14)11(10)12(15)16/h4-6H,7-8H2,1-3H3,(H3,15,16)
InChIKeyDJRYKZAWODMZOU-UHFFFAOYSA-N
XLogP2.82
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboximidamide
CID 112587765
2-chloro-6-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]benzenecarboximidamide
CID 114323489
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide (CID 112587805) is 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCCOC(C)(C)C.
What is the InChIKey of 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide?
The InChIKey is DJRYKZAWODMZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)18-8-7-17-10-6-4-5-9(14)11(10)12(15)16/h4-6H,7-8H2,1-3H3,(H3,15,16).
What are the key properties of 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide?
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide has a molecular weight of 270.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 112587805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).