1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine

C24H24ClNO3 — CID 126220882

IUPAC1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C24H24ClNO3/c1-3-27-21-12-10-20(11-13-21)26-16-18-9-14-23(24(15-18)28-4-2)29-17-19-7-5-6-8-22(19)25/h5-16H,3-4,17H2,1-2H3/b26-16+
InChIKeyZTDRZLFFGUJILY-WGOQTCKBSA-N
MW409.91 g/mol
LogP6.47
Rot. Bonds9

About 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine

1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine (PubChem CID 126220882) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
PubChem CID126220882
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C24H24ClNO3/c1-3-27-21-12-10-20(11-13-21)26-16-18-9-14-23(24(15-18)28-4-2)29-17-19-7-5-6-8-22(19)25/h5-16H,3-4,17H2,1-2H3/b26-16+
InChIKeyZTDRZLFFGUJILY-WGOQTCKBSA-N
XLogP6.47
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
CID 126207064
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide
CID 133169477
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126048601
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide
CID 5098400
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4028497
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126367955

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine (CID 126220882) is 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
The InChIKey is ZTDRZLFFGUJILY-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-3-27-21-12-10-20(11-13-21)26-16-18-9-14-23(24(15-18)28-4-2)29-17-19-7-5-6-8-22(19)25/h5-16H,3-4,17H2,1-2H3/b26-16+.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine?
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine has a molecular weight of 409.91 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126220882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).