N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine

C14H12FNO — CID 708227

IUPACN-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3/b16-10+
InChIKeyZICFPEHQRZAFBZ-MHWRWJLKSA-N
MW229.25 g/mol
LogP3.58
Rot. Bonds3

About N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine

N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine (PubChem CID 708227) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine
PubChem CID708227
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC NameN-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3/b16-10+
InChIKeyZICFPEHQRZAFBZ-MHWRWJLKSA-N
XLogP3.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine (CID 708227) is N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is ZICFPEHQRZAFBZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3/b16-10+.
What are the key properties of N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine?
N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 229.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 708227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).