1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine

C22H24N2O2 — CID 126101975

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCCn1c(C)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)c1C
InChIInChI=1S/C22H24N2O2/c1-5-24-16(2)14-18(17(24)3)15-23-19-6-8-21(9-7-19)26-22-12-10-20(25-4)11-13-22/h6-15H,5H2,1-4H3/b23-15+
InChIKeyBOHJCAWKAZSOKQ-HZHRSRAPSA-N
MW348.45 g/mol
LogP5.68
Rot. Bonds6

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine (PubChem CID 126101975) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
PubChem CID126101975
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCCn1c(C)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)c1C
InChIInChI=1S/C22H24N2O2/c1-5-24-16(2)14-18(17(24)3)15-23-19-6-8-21(9-7-19)26-22-12-10-20(25-4)11-13-22/h6-15H,5H2,1-4H3/b23-15+
InChIKeyBOHJCAWKAZSOKQ-HZHRSRAPSA-N
XLogP5.68
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.68
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-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
CID 126109555
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126113111
N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126081547
ethyl 3-[3-[[4-(4-methoxyphenoxy)phenyl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 23742045
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 956032
N-[4-(1-adamantyl)phenyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126103156
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
CID 126115155
N-(4-chloro-3-nitrophenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126097836
1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126099886
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
CID 126071933
1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 50860728
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine (CID 126101975) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine is CCn1c(C)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The InChIKey is BOHJCAWKAZSOKQ-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-5-24-16(2)14-18(17(24)3)15-23-19-6-8-21(9-7-19)26-22-12-10-20(25-4)11-13-22/h6-15H,5H2,1-4H3/b23-15+.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine has a molecular weight of 348.45 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 126101975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).