1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine

C19H22INO2 — CID 126220598

IUPAC1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC
InChIInChI=1S/C19H22INO2/c1-5-22-18-11-15(10-16(20)19(18)23-6-2)12-21-17-8-7-13(3)9-14(17)4/h7-12H,5-6H2,1-4H3/b21-12+
InChIKeyXFWHTTLUSBBTOR-CIAFOILYSA-N
MW423.29 g/mol
LogP5.46
Rot. Bonds6

About 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine

1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine (PubChem CID 126220598) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
PubChem CID126220598
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC Name1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC
InChIInChI=1S/C19H22INO2/c1-5-22-18-11-15(10-16(20)19(18)23-6-2)12-21-17-8-7-13(3)9-14(17)4/h7-12H,5-6H2,1-4H3/b21-12+
InChIKeyXFWHTTLUSBBTOR-CIAFOILYSA-N
XLogP5.46
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.29
LogP ≤ 55.46
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'}

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Related Compounds

N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
[4-[(2,4-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenyl] 4-methylbenzenesulfonate
CID 126215958
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126224516
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide
CID 126209254
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine?
The IUPAC name of 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine (CID 126220598) is 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC.
What is the InChIKey of 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine?
The InChIKey is XFWHTTLUSBBTOR-CIAFOILYSA-N. The full InChI is InChI=1S/C19H22INO2/c1-5-22-18-11-15(10-16(20)19(18)23-6-2)12-21-17-8-7-13(3)9-14(17)4/h7-12H,5-6H2,1-4H3/b21-12+.
What are the key properties of 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine?
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine has a molecular weight of 423.29 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126220598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).