N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine

C18H18ClFN2O — CID 126130017

IUPACN-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1Cl
InChIInChI=1S/C18H18ClFN2O/c1-13-2-4-15(11-16(13)19)21-12-14-3-5-18(17(20)10-14)22-6-8-23-9-7-22/h2-5,10-12H,6-9H2,1H3/b21-12+
InChIKeyHNUZTJIOCASFRA-CIAFOILYSA-N
MW332.81 g/mol
LogP4.37
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine

N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine (PubChem CID 126130017) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
PubChem CID126130017
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1Cl
InChIInChI=1S/C18H18ClFN2O/c1-13-2-4-15(11-16(13)19)21-12-14-3-5-18(17(20)10-14)22-6-8-23-9-7-22/h2-5,10-12H,6-9H2,1H3/b21-12+
InChIKeyHNUZTJIOCASFRA-CIAFOILYSA-N
XLogP4.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine (CID 126130017) is N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is HNUZTJIOCASFRA-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-13-2-4-15(11-16(13)19)21-12-14-3-5-18(17(20)10-14)22-6-8-23-9-7-22/h2-5,10-12H,6-9H2,1H3/b21-12+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 332.81 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).