1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine

C28H26INO2 — CID 126215352

IUPAC1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C28H26INO2/c1-3-20-12-14-24(15-13-20)30-18-21-16-26(29)28(27(17-21)31-4-2)32-19-23-10-7-9-22-8-5-6-11-25(22)23/h5-18H,3-4,19H2,1-2H3/b30-18+
InChIKeyHICAOESILBQYGA-UXHLAJHPSA-N
MW535.43 g/mol
LogP7.74
Rot. Bonds8

About 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine

1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine (PubChem CID 126215352) has the molecular formula C28H26INO2 and a molecular weight of 535.43 g/mol. Its IUPAC name is 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
PubChem CID126215352
Molecular FormulaC28H26INO2
Molecular Weight535.43 g/mol
Exact Mass535.10
IUPAC Name1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C28H26INO2/c1-3-20-12-14-24(15-13-20)30-18-21-16-26(29)28(27(17-21)31-4-2)32-19-23-10-7-9-22-8-5-6-11-25(22)23/h5-18H,3-4,19H2,1-2H3/b30-18+
InChIKeyHICAOESILBQYGA-UXHLAJHPSA-N
XLogP7.74
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 57.74
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

(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91683154
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
2-(3,4-dimethylphenyl)-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 6137985
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126367547
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 3717028
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
CID 124533302

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine (CID 126215352) is 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12.
What is the InChIKey of 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
The InChIKey is HICAOESILBQYGA-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H26INO2/c1-3-20-12-14-24(15-13-20)30-18-21-16-26(29)28(27(17-21)31-4-2)32-19-23-10-7-9-22-8-5-6-11-25(22)23/h5-18H,3-4,19H2,1-2H3/b30-18+.
What are the key properties of 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine?
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine has a molecular weight of 535.43 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126215352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).