1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine

C22H21ClN2O2 — CID 1377933

IUPAC1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C22H21ClN2O2/c1-16-2-3-17(23)14-21(16)22-9-8-20(27-22)15-24-18-4-6-19(7-5-18)25-10-12-26-13-11-25/h2-9,14-15H,10-13H2,1H3/b24-15+
InChIKeySCIAMNQLJKDEMQ-BUVRLJJBSA-N
MW380.88 g/mol
LogP5.50
Rot. Bonds4

About 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1377933) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1377933
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C22H21ClN2O2/c1-16-2-3-17(23)14-21(16)22-9-8-20(27-22)15-24-18-4-6-19(7-5-18)25-10-12-26-13-11-25/h2-9,14-15H,10-13H2,1H3/b24-15+
InChIKeySCIAMNQLJKDEMQ-BUVRLJJBSA-N
XLogP5.50
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 1377933) is 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine is Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is SCIAMNQLJKDEMQ-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-16-2-3-17(23)14-21(16)22-9-8-20(27-22)15-24-18-4-6-19(7-5-18)25-10-12-26-13-11-25/h2-9,14-15H,10-13H2,1H3/b24-15+.
What are the key properties of 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 380.88 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1377933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).