1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine

C15H13BrINO2 — CID 1272173

IUPAC1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
SMILESCOc1cc(OC)c(/C=N/c2ccc(I)cc2)cc1Br
InChIInChI=1S/C15H13BrINO2/c1-19-14-8-15(20-2)13(16)7-10(14)9-18-12-5-3-11(17)4-6-12/h3-9H,1-2H3/b18-9+
InChIKeyONZREYPPCOPHOJ-GIJQJNRQSA-N
MW446.08 g/mol
LogP4.82
Rot. Bonds4

About 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine

1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine (PubChem CID 1272173) has the molecular formula C15H13BrINO2 and a molecular weight of 446.08 g/mol. Its IUPAC name is 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
PubChem CID1272173
Molecular FormulaC15H13BrINO2
Molecular Weight446.08 g/mol
Exact Mass444.92
IUPAC Name1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
SMILESCOc1cc(OC)c(/C=N/c2ccc(I)cc2)cc1Br
InChIInChI=1S/C15H13BrINO2/c1-19-14-8-15(20-2)13(16)7-10(14)9-18-12-5-3-11(17)4-6-12/h3-9H,1-2H3/b18-9+
InChIKeyONZREYPPCOPHOJ-GIJQJNRQSA-N
XLogP4.82
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.08
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 1381574
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 102419767
N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 98097976
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-[3-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-2-(dimethylamino)ethanone
CID 170896471
5-bromo-2-methoxy-4-[(4-methoxyphenyl)iminomethyl]phenol
CID 137062216
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
N-[4-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-4-iodobenzamide
CID 3342367

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine?
The IUPAC name of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine (CID 1272173) is 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine?
The canonical SMILES for 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine is COc1cc(OC)c(/C=N/c2ccc(I)cc2)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine?
The InChIKey is ONZREYPPCOPHOJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13BrINO2/c1-19-14-8-15(20-2)13(16)7-10(14)9-18-12-5-3-11(17)4-6-12/h3-9H,1-2H3/b18-9+.
What are the key properties of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine?
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine has a molecular weight of 446.08 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine is sourced from PubChem (CID 1272173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).