1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

C21H16Cl3NO — CID 126226443

IUPAC1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl3NO/c1-14-6-2-5-9-20(14)25-12-15-10-18(23)21(19(24)11-15)26-13-16-7-3-4-8-17(16)22/h2-12H,13H2,1H3/b25-12+
InChIKeyZXDMVKMTCZUAKS-BRJLIKDPSA-N
MW404.72 g/mol
LogP7.28
Rot. Bonds5

About 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (PubChem CID 126226443) has the molecular formula C21H16Cl3NO and a molecular weight of 404.72 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
PubChem CID126226443
Molecular FormulaC21H16Cl3NO
Molecular Weight404.72 g/mol
Exact Mass403.03
IUPAC Name1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl3NO/c1-14-6-2-5-9-20(14)25-12-15-10-18(23)21(19(24)11-15)26-13-16-7-3-4-8-17(16)22/h2-12H,13H2,1H3/b25-12+
InChIKeyZXDMVKMTCZUAKS-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-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758
N-(5-chloro-2-methylphenyl)-1-[4-[(2-chlorophenyl)methoxy]phenyl]methanimine
CID 126206758
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
4-[[2-chloro-6-ethoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126220395
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (CID 126226443) is 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The InChIKey is ZXDMVKMTCZUAKS-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H16Cl3NO/c1-14-6-2-5-9-20(14)25-12-15-10-18(23)21(19(24)11-15)26-13-16-7-3-4-8-17(16)22/h2-12H,13H2,1H3/b25-12+.
What are the key properties of 1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
1-[3,5-dichloro-4-[(2-chlorophenyl)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-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126226443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).