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

C20H19NO3 — CID 956032

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCOc1ccc(Oc2ccc(/N=C/c3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C20H19NO3/c1-14-12-16(15(2)23-14)13-21-17-4-6-19(7-5-17)24-20-10-8-18(22-3)9-11-20/h4-13H,1-3H3/b21-13+
InChIKeyUNTBEUQDGQIASG-FYJGNVAPSA-N
MW321.38 g/mol
LogP5.45
Rot. Bonds5

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

1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine (PubChem CID 956032) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
PubChem CID956032
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
SMILESCOc1ccc(Oc2ccc(/N=C/c3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C20H19NO3/c1-14-12-16(15(2)23-14)13-21-17-4-6-19(7-5-17)24-20-10-8-18(22-3)9-11-20/h4-13H,1-3H3/b21-13+
InChIKeyUNTBEUQDGQIASG-FYJGNVAPSA-N
XLogP5.45
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.45
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-(2,5-dimethylfuran-3-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 956039
1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
CID 956036
N-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
CID 21374203
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
CID 956109
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126099886
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865632
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
2-bromo-6-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]-4-nitrophenol
CID 137043467

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine (CID 956032) is 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine is COc1ccc(Oc2ccc(/N=C/c3cc(C)oc3C)cc2)cc1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
The InChIKey is UNTBEUQDGQIASG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-12-16(15(2)23-14)13-21-17-4-6-19(7-5-17)24-20-10-8-18(22-3)9-11-20/h4-13H,1-3H3/b21-13+.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine?
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine has a molecular weight of 321.38 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 956032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).