N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine

C26H21ClINO2 — CID 126219624

IUPACN-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H21ClINO2/c1-17-10-11-21(27)14-24(17)29-15-18-12-23(28)26(25(13-18)30-2)31-16-20-8-5-7-19-6-3-4-9-22(19)20/h3-15H,16H2,1-2H3/b29-15+
InChIKeyUTJNDNHWKXFYDL-WKULSOCRSA-N
MW541.82 g/mol
LogP7.74
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine

N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine (PubChem CID 126219624) has the molecular formula C26H21ClINO2 and a molecular weight of 541.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
PubChem CID126219624
Molecular FormulaC26H21ClINO2
Molecular Weight541.82 g/mol
Exact Mass541.03
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H21ClINO2/c1-17-10-11-21(27)14-24(17)29-15-18-12-23(28)26(25(13-18)30-2)31-16-20-8-5-7-19-6-3-4-9-22(19)20/h3-15H,16H2,1-2H3/b29-15+
InChIKeyUTJNDNHWKXFYDL-WKULSOCRSA-N
XLogP7.74
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.82
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

N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
N-(5-chloro-2-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217896
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
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
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126059438
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine (CID 126219624) is N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine is COc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCc1cccc2ccccc12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
The InChIKey is UTJNDNHWKXFYDL-WKULSOCRSA-N. The full InChI is InChI=1S/C26H21ClINO2/c1-17-10-11-21(27)14-24(17)29-15-18-12-23(28)26(25(13-18)30-2)31-16-20-8-5-7-19-6-3-4-9-22(19)20/h3-15H,16H2,1-2H3/b29-15+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine?
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine has a molecular weight of 541.82 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine is sourced from PubChem (CID 126219624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).