2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide

C13H17ClN2O2 — CID 113277398

IUPAC2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCC1CCCO1
InChIInChI=1S/C13H17ClN2O2/c14-10-4-1-5-11(12(10)13(15)16)18-8-6-9-3-2-7-17-9/h1,4-5,9H,2-3,6-8H2,(H3,15,16)
InChIKeyZGGJMRLGKHTAGB-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.57
Rot. Bonds5

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

2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 113277398) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
PubChem CID113277398
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCC1CCCO1
InChIInChI=1S/C13H17ClN2O2/c14-10-4-1-5-11(12(10)13(15)16)18-8-6-9-3-2-7-17-9/h1,4-5,9H,2-3,6-8H2,(H3,15,16)
InChIKeyZGGJMRLGKHTAGB-UHFFFAOYSA-N
XLogP2.57
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277413
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 62497722
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057918
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (CID 113277398) is 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCCC1CCCO1.
What is the InChIKey of 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is ZGGJMRLGKHTAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-4-1-5-11(12(10)13(15)16)18-8-6-9-3-2-7-17-9/h1,4-5,9H,2-3,6-8H2,(H3,15,16).
What are the key properties of 2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide has a molecular weight of 268.74 g/mol, XLogP of 2.57, 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-(oxolan-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 113277398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).