N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine

C18H18ClFN2O2 — CID 126241546

IUPACN-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-23-18-11-15(22-6-8-24-9-7-22)4-2-13(18)12-21-14-3-5-17(20)16(19)10-14/h2-5,10-12H,6-9H2,1H3/b21-12+
InChIKeyOYNCVHNOPVPLJC-CIAFOILYSA-N
MW348.81 g/mol
LogP4.07
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine

N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine (PubChem CID 126241546) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
PubChem CID126241546
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-23-18-11-15(22-6-8-24-9-7-22)4-2-13(18)12-21-14-3-5-17(20)16(19)10-14/h2-5,10-12H,6-9H2,1H3/b21-12+
InChIKeyOYNCVHNOPVPLJC-CIAFOILYSA-N
XLogP4.07
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.07
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-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine (CID 126241546) is N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine is COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is OYNCVHNOPVPLJC-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-23-18-11-15(22-6-8-24-9-7-22)4-2-13(18)12-21-14-3-5-17(20)16(19)10-14/h2-5,10-12H,6-9H2,1H3/b21-12+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 348.81 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126241546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).