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

C15H15ClN2O2 — CID 63092515

IUPAC4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccccc1OCC
InChIInChI=1S/C15H15ClN2O2/c1-2-19-12-5-3-4-6-13(12)20-14-9-10(16)7-8-11(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyLMQCBFULXLDPFM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.82
Rot. Bonds5

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

4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide (PubChem CID 63092515) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
PubChem CID63092515
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Oc1ccccc1OCC
InChIInChI=1S/C15H15ClN2O2/c1-2-19-12-5-3-4-6-13(12)20-14-9-10(16)7-8-11(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyLMQCBFULXLDPFM-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-propoxyphenoxy)benzenecarboximidamide
CID 63094383
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-(4-propylphenoxy)benzenecarboximidamide
CID 63524864
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-chloro-2-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 63094563
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide (CID 63092515) is 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Oc1ccccc1OCC.
What is the InChIKey of 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide?
The InChIKey is LMQCBFULXLDPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-19-12-5-3-4-6-13(12)20-14-9-10(16)7-8-11(14)15(17)18/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide?
4-chloro-2-(2-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-(2-ethoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 63092515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).