N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine

C19H21ClINO2 — CID 126225878

IUPACN-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
SMILESCCCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OCC
InChIInChI=1S/C19H21ClINO2/c1-4-9-24-19-16(21)10-14(11-18(19)23-5-2)12-22-17-8-6-7-15(20)13(17)3/h6-8,10-12H,4-5,9H2,1-3H3/b22-12+
InChIKeySZUGWTMUEPXCJU-WSDLNYQXSA-N
MW457.74 g/mol
LogP6.19
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine

N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine (PubChem CID 126225878) has the molecular formula C19H21ClINO2 and a molecular weight of 457.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
PubChem CID126225878
Molecular FormulaC19H21ClINO2
Molecular Weight457.74 g/mol
Exact Mass457.03
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
SMILESCCCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OCC
InChIInChI=1S/C19H21ClINO2/c1-4-9-24-19-16(21)10-14(11-18(19)23-5-2)12-22-17-8-6-7-15(20)13(17)3/h6-8,10-12H,4-5,9H2,1-3H3/b22-12+
InChIKeySZUGWTMUEPXCJU-WSDLNYQXSA-N
XLogP6.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.74
LogP ≤ 56.19
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

2-[4-[(3-chloro-2-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126208645
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126216961
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
N-(2,3-dichlorophenyl)-N'-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylideneamino]propanediamide
CID 4995600
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
1-[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217645
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine (CID 126225878) is N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine is CCCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OCC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine?
The InChIKey is SZUGWTMUEPXCJU-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H21ClINO2/c1-4-9-24-19-16(21)10-14(11-18(19)23-5-2)12-22-17-8-6-7-15(20)13(17)3/h6-8,10-12H,4-5,9H2,1-3H3/b22-12+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine?
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine has a molecular weight of 457.74 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine is sourced from PubChem (CID 126225878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).