1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine

C20H14Cl3NO — CID 3137142

IUPAC1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C20H14Cl3NO/c21-16-4-1-14(2-5-16)12-24-18-7-9-19(10-8-18)25-13-15-3-6-17(22)11-20(15)23/h1-12H,13H2/b24-12+
InChIKeyINTKJYFIWWTKKD-WYMPLXKRSA-N
MW390.70 g/mol
LogP6.98
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine

1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine (PubChem CID 3137142) has the molecular formula C20H14Cl3NO and a molecular weight of 390.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
PubChem CID3137142
Molecular FormulaC20H14Cl3NO
Molecular Weight390.70 g/mol
Exact Mass389.01
IUPAC Name1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
SMILESClc1ccc(/C=N/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C20H14Cl3NO/c21-16-4-1-14(2-5-16)12-24-18-7-9-19(10-8-18)25-13-15-3-6-17(22)11-20(15)23/h1-12H,13H2/b24-12+
InChIKeyINTKJYFIWWTKKD-WYMPLXKRSA-N
XLogP6.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 56.98
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

N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 872664
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
CID 126207064
N-(3-chloro-4-fluorophenyl)-1-[4-[(2,4-dibromophenyl)methoxy]phenyl]methanimine
CID 126191305
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
N-(5-chloro-2-methylphenyl)-1-[4-[(2-chlorophenyl)methoxy]phenyl]methanimine
CID 126206758
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine (CID 3137142) is 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine is Clc1ccc(/C=N/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine?
The InChIKey is INTKJYFIWWTKKD-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14Cl3NO/c21-16-4-1-14(2-5-16)12-24-18-7-9-19(10-8-18)25-13-15-3-6-17(22)11-20(15)23/h1-12H,13H2/b24-12+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine?
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine has a molecular weight of 390.70 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 3137142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).