N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine

C23H21FINO2 — CID 126219375

IUPACN-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C23H21FINO2/c1-15-8-9-21(16(2)10-15)26-13-17-11-20(25)23(22(12-17)27-3)28-14-18-6-4-5-7-19(18)24/h4-13H,14H2,1-3H3/b26-13+
InChIKeySVWNYULDZXFQDQ-LGJNPRDNSA-N
MW489.33 g/mol
LogP6.39
Rot. Bonds6

About N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine

N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine (PubChem CID 126219375) has the molecular formula C23H21FINO2 and a molecular weight of 489.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
PubChem CID126219375
Molecular FormulaC23H21FINO2
Molecular Weight489.33 g/mol
Exact Mass489.06
IUPAC NameN-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccccc1F
InChIInChI=1S/C23H21FINO2/c1-15-8-9-21(16(2)10-15)26-13-17-11-20(25)23(22(12-17)27-3)28-14-18-6-4-5-7-19(18)24/h4-13H,14H2,1-3H3/b26-13+
InChIKeySVWNYULDZXFQDQ-LGJNPRDNSA-N
XLogP6.39
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.33
LogP ≤ 56.39
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-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126219624
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
1-[3,5-dibromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126209068
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126217700
N-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]-4-methylaniline
CID 126116456
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine (CID 126219375) is N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine is COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1ccccc1F.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
The InChIKey is SVWNYULDZXFQDQ-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H21FINO2/c1-15-8-9-21(16(2)10-15)26-13-17-11-20(25)23(22(12-17)27-3)28-14-18-6-4-5-7-19(18)24/h4-13H,14H2,1-3H3/b26-13+.
What are the key properties of N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine?
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine has a molecular weight of 489.33 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine is sourced from PubChem (CID 126219375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).