4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide

C15H15ClN2O2 — CID 63094214

IUPAC4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1cccc(OCC)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-19-11-4-3-5-12(9-11)20-14-8-10(16)6-7-13(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyZZXAOCWKNCQYTO-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.82
Rot. Bonds5

About 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide

4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide (PubChem CID 63094214) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
PubChem CID63094214
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1cccc(OCC)c1
InChIInChI=1S/C15H15ClN2O2/c1-2-19-11-4-3-5-12(9-11)20-14-8-10(16)6-7-13(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyZZXAOCWKNCQYTO-UHFFFAOYSA-N
XLogP3.82
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.82
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-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide (CID 63094214) is 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1cccc(OCC)c1.
What is the InChIKey of 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide?
The InChIKey is ZZXAOCWKNCQYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-19-11-4-3-5-12(9-11)20-14-8-10(16)6-7-13(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide?
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide has a molecular weight of 290.75 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63094214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).