3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide

C15H15IN2O2 — CID 103567720

IUPAC3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H15IN2O2/c1-19-13-6-11(15(17)18)7-14(8-13)20-9-10-2-4-12(16)5-3-10/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKSLULFIIZHYZKB-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.16
Rot. Bonds5

About 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide

3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide (PubChem CID 103567720) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
PubChem CID103567720
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H15IN2O2/c1-19-13-6-11(15(17)18)7-14(8-13)20-9-10-2-4-12(16)5-3-10/h2-8H,9H2,1H3,(H3,17,18)
InChIKeyKSLULFIIZHYZKB-UHFFFAOYSA-N
XLogP3.16
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.16
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-[[3-butyl-5-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide;methane
CID 160987111

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide?
The IUPAC name of 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide (CID 103567720) is 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide?
The canonical SMILES for 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide?
The InChIKey is KSLULFIIZHYZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-19-13-6-11(15(17)18)7-14(8-13)20-9-10-2-4-12(16)5-3-10/h2-8H,9H2,1H3,(H3,17,18).
What are the key properties of 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide?
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide has a molecular weight of 382.20 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).