N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine

C17H20N2O2 — CID 126017936

IUPACN-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCOCC3)o2)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-13-3-5-16(14(2)11-13)18-12-15-4-6-17(21-15)19-7-9-20-10-8-19/h3-6,11-12H,7-10H2,1-2H3/b18-12+
InChIKeyGFFCRKVMAUMOFH-LDADJPATSA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine

N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine (PubChem CID 126017936) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
PubChem CID126017936
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCOCC3)o2)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-13-3-5-16(14(2)11-13)18-12-15-4-6-17(21-15)19-7-9-20-10-8-19/h3-6,11-12H,7-10H2,1-2H3/b18-12+
InChIKeyGFFCRKVMAUMOFH-LDADJPATSA-N
XLogP3.48
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
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

N-(5-chloro-2-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126025583
N-(3-chloro-4-methoxyphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine
CID 126015628
(Z)-1-(5-morpholin-4-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381413
N'-(2,4-dimethylphenyl)-N-methyl-N-morpholin-4-ylsulfanylmethanimidamide
CID 22752039
N-(2,4-dimethylphenyl)-2-[(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126020113
2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
CID 3150859
(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137050469
(5Z)-2-(2-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137023043
N-(2,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126075339
5-[(2,4-dimethylphenyl)iminomethyl]-6-hydroxy-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
CID 135653007
1-(3,5-dimethylphenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5209851
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine (CID 126017936) is N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine is Cc1ccc(/N=C/c2ccc(N3CCOCC3)o2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
The InChIKey is GFFCRKVMAUMOFH-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-3-5-16(14(2)11-13)18-12-15-4-6-17(21-15)19-7-9-20-10-8-19/h3-6,11-12H,7-10H2,1-2H3/b18-12+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine has a molecular weight of 284.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(5-morpholin-4-ylfuran-2-yl)methanimine is sourced from PubChem (CID 126017936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).