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

C13H17ClN2O2 — CID 113277413

IUPAC4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCCC1CCCO1
InChIInChI=1S/C13H17ClN2O2/c14-9-3-4-11(13(15)16)12(8-9)18-7-5-10-2-1-6-17-10/h3-4,8,10H,1-2,5-7H2,(H3,15,16)
InChIKeyIBYMLBJTETYHQQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.57
Rot. Bonds5

About 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide

4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (PubChem CID 113277413) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
PubChem CID113277413
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCCC1CCCO1
InChIInChI=1S/C13H17ClN2O2/c14-9-3-4-11(13(15)16)12(8-9)18-7-5-10-2-1-6-17-10/h3-4,8,10H,1-2,5-7H2,(H3,15,16)
InChIKeyIBYMLBJTETYHQQ-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]benzenecarbothioamide
CID 113277364
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326458
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057918
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide (CID 113277413) is 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCCC1CCCO1.
What is the InChIKey of 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
The InChIKey is IBYMLBJTETYHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-9-3-4-11(13(15)16)12(8-9)18-7-5-10-2-1-6-17-10/h3-4,8,10H,1-2,5-7H2,(H3,15,16).
What are the key properties of 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide?
4-chloro-2-[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 4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 113277413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).