1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine

C20H21NO2 — CID 4575750

IUPAC1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
SMILESC=CCOc1ccc(/C=N/c2ccc(C)cc2)c(OCC=C)c1
InChIInChI=1S/C20H21NO2/c1-4-12-22-19-11-8-17(20(14-19)23-13-5-2)15-21-18-9-6-16(3)7-10-18/h4-11,14-15H,1-2,12-13H2,3H3/b21-15+
InChIKeyFTGYOWXHDZLMKL-RCCKNPSSSA-N
MW307.39 g/mol
LogP4.88
Rot. Bonds8

About 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine

1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine (PubChem CID 4575750) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
PubChem CID4575750
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
SMILESC=CCOc1ccc(/C=N/c2ccc(C)cc2)c(OCC=C)c1
InChIInChI=1S/C20H21NO2/c1-4-12-22-19-11-8-17(20(14-19)23-13-5-2)15-21-18-9-6-16(3)7-10-18/h4-11,14-15H,1-2,12-13H2,3H3/b21-15+
InChIKeyFTGYOWXHDZLMKL-RCCKNPSSSA-N
XLogP4.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
CID 3427479
2-tert-butyl-4-methyl-6-[(4-prop-2-enoxyphenyl)iminomethyl]phenol
CID 137225956
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813
1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
CID 139217442
2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene
CID 11809378
1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
CID 19655769
5-[[2,4-bis(prop-2-enoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600065
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
benzyl N'-[[2,4-bis(prop-2-enoxy)phenyl]methylideneamino]carbamimidothioate
CID 168612332
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 956039

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine (CID 4575750) is 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine is C=CCOc1ccc(/C=N/c2ccc(C)cc2)c(OCC=C)c1.
What is the InChIKey of 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine?
The InChIKey is FTGYOWXHDZLMKL-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-12-22-19-11-8-17(20(14-19)23-13-5-2)15-21-18-9-6-16(3)7-10-18/h4-11,14-15H,1-2,12-13H2,3H3/b21-15+.
What are the key properties of 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine?
1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine has a molecular weight of 307.39 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 4575750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).