2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide

C15H15ClN2O2 — CID 82240842

IUPAC2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-19-13-7-3-6-12(15(17)18)14(13)20-9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKRWXUUIECGSUJR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.21
Rot. Bonds5

About 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide

2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide (PubChem CID 82240842) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
PubChem CID82240842
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-19-13-7-3-6-12(15(17)18)14(13)20-9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKRWXUUIECGSUJR-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

3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253852
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide (CID 82240842) is 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
The InChIKey is KRWXUUIECGSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-19-13-7-3-6-12(15(17)18)14(13)20-9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide?
2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide 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 2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 82240842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).