1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine

C26H22INO2 — CID 126209227

IUPAC1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H22INO2/c1-18-10-12-22(13-11-18)28-16-19-14-24(27)26(25(15-19)29-2)30-17-21-8-5-7-20-6-3-4-9-23(20)21/h3-16H,17H2,1-2H3/b28-16+
InChIKeyUDFJQHNOELJEJR-LQKURTRISA-N
MW507.37 g/mol
LogP7.09
Rot. Bonds6

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

1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine (PubChem CID 126209227) has the molecular formula C26H22INO2 and a molecular weight of 507.37 g/mol. Its IUPAC name is 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
PubChem CID126209227
Molecular FormulaC26H22INO2
Molecular Weight507.37 g/mol
Exact Mass507.07
IUPAC Name1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H22INO2/c1-18-10-12-22(13-11-18)28-16-19-14-24(27)26(25(15-19)29-2)30-17-21-8-5-7-20-6-3-4-9-23(20)21/h3-16H,17H2,1-2H3/b28-16+
InChIKeyUDFJQHNOELJEJR-LQKURTRISA-N
XLogP7.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.37
LogP ≤ 57.09
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

1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126219624
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126059438
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245617
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91683154

Frequently Asked Questions

What is the IUPAC name of 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine (CID 126209227) is 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine is COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12.
What is the InChIKey of 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
The InChIKey is UDFJQHNOELJEJR-LQKURTRISA-N. The full InChI is InChI=1S/C26H22INO2/c1-18-10-12-22(13-11-18)28-16-19-14-24(27)26(25(15-19)29-2)30-17-21-8-5-7-20-6-3-4-9-23(20)21/h3-16H,17H2,1-2H3/b28-16+.
What are the key properties of 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine?
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine has a molecular weight of 507.37 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 126209227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).