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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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).