1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

C21H16Cl3NO — CID 126225144

IUPAC1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl3NO/c1-14-4-2-3-5-20(14)25-12-16-10-17(22)8-9-21(16)26-13-15-6-7-18(23)11-19(15)24/h2-12H,13H2,1H3/b25-12+
InChIKeyYTFXHJVMVBRVML-BRJLIKDPSA-N
MW404.72 g/mol
LogP7.28
Rot. Bonds5

About 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (PubChem CID 126225144) has the molecular formula C21H16Cl3NO and a molecular weight of 404.72 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
PubChem CID126225144
Molecular FormulaC21H16Cl3NO
Molecular Weight404.72 g/mol
Exact Mass403.03
IUPAC Name1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl3NO/c1-14-4-2-3-5-20(14)25-12-16-10-17(22)8-9-21(16)26-13-15-6-7-18(23)11-19(15)24/h2-12H,13H2,1H3/b25-12+
InChIKeyYTFXHJVMVBRVML-BRJLIKDPSA-N
XLogP7.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.72
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126215654
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126208451
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209716
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530089
N-(5-chloro-2-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217896
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126214908

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (CID 126225144) is 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The InChIKey is YTFXHJVMVBRVML-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H16Cl3NO/c1-14-4-2-3-5-20(14)25-12-16-10-17(22)8-9-21(16)26-13-15-6-7-18(23)11-19(15)24/h2-12H,13H2,1H3/b25-12+.
What are the key properties of 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine has a molecular weight of 404.72 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126225144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).