3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide

C15H15ClN2O2 — CID 61388847

IUPAC3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(OC)c2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyREGHNQCWVBMITG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.21
Rot. Bonds5

About 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide

3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 61388847) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID61388847
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(OC)c2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyREGHNQCWVBMITG-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide
CID 63262641
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide (CID 61388847) is 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccc(OC)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is REGHNQCWVBMITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide?
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 290.75 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 61388847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).