1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine

C21H15Cl4NO2 — CID 23738779

IUPAC1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)c(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl4NO2/c1-27-21-8-14(11-26-19-10-17(24)16(23)9-18(19)25)4-7-20(21)28-12-13-2-5-15(22)6-3-13/h2-11H,12H2,1H3/b26-11+
InChIKeyYCNLWUQLQSQRHM-KBKYJPHKSA-N
MW455.17 g/mol
LogP7.64
Rot. Bonds6

About 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine

1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine (PubChem CID 23738779) has the molecular formula C21H15Cl4NO2 and a molecular weight of 455.17 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
PubChem CID23738779
Molecular FormulaC21H15Cl4NO2
Molecular Weight455.17 g/mol
Exact Mass452.99
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)c(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl4NO2/c1-27-21-8-14(11-26-19-10-17(24)16(23)9-18(19)25)4-7-20(21)28-12-13-2-5-15(22)6-3-13/h2-11H,12H2,1H3/b26-11+
InChIKeyYCNLWUQLQSQRHM-KBKYJPHKSA-N
XLogP7.64
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.17
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126218322
2-methoxy-5-[(2,4,5-trichlorophenyl)iminomethyl]phenol
CID 968357
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 5165015
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110840523

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine (CID 23738779) is 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine is COc1cc(/C=N/c2cc(Cl)c(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine?
The InChIKey is YCNLWUQLQSQRHM-KBKYJPHKSA-N. The full InChI is InChI=1S/C21H15Cl4NO2/c1-27-21-8-14(11-26-19-10-17(24)16(23)9-18(19)25)4-7-20(21)28-12-13-2-5-15(22)6-3-13/h2-11H,12H2,1H3/b26-11+.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine?
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine has a molecular weight of 455.17 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine is sourced from PubChem (CID 23738779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).