1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine

C15H12Br2INO — CID 50883934

IUPAC1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine
SMILESCOc1c(Br)cc(Br)cc1/C=N/c1ccc(I)cc1C
InChIInChI=1S/C15H12Br2INO/c1-9-5-12(18)3-4-14(9)19-8-10-6-11(16)7-13(17)15(10)20-2/h3-8H,1-2H3/b19-8+
InChIKeyIFKFNLDJYMKENM-UFWORHAWSA-N
MW508.98 g/mol
LogP5.88
Rot. Bonds3

About 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine

1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine (PubChem CID 50883934) has the molecular formula C15H12Br2INO and a molecular weight of 508.98 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine
PubChem CID50883934
Molecular FormulaC15H12Br2INO
Molecular Weight508.98 g/mol
Exact Mass506.83
IUPAC Name1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine
SMILESCOc1c(Br)cc(Br)cc1/C=N/c1ccc(I)cc1C
InChIInChI=1S/C15H12Br2INO/c1-9-5-12(18)3-4-14(9)19-8-10-6-11(16)7-13(17)15(10)20-2/h3-8H,1-2H3/b19-8+
InChIKeyIFKFNLDJYMKENM-UFWORHAWSA-N
XLogP5.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
CID 126207516
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
CID 630747
1-[4-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 5186013
1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126209068
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214465
N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 86693802
[2,4-dibromo-6-[(4-methoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126223634
N-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]hydroxylamine
CID 57368892

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine?
The IUPAC name of 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine (CID 50883934) is 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine?
The canonical SMILES for 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine is COc1c(Br)cc(Br)cc1/C=N/c1ccc(I)cc1C.
What is the InChIKey of 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine?
The InChIKey is IFKFNLDJYMKENM-UFWORHAWSA-N. The full InChI is InChI=1S/C15H12Br2INO/c1-9-5-12(18)3-4-14(9)19-8-10-6-11(16)7-13(17)15(10)20-2/h3-8H,1-2H3/b19-8+.
What are the key properties of 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine?
1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine has a molecular weight of 508.98 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-methoxyphenyl)-N-(4-iodo-2-methylphenyl)methanimine is sourced from PubChem (CID 50883934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).