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

C20H16FNO — CID 791783

IUPACN-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2/b22-14+
InChIKeyIWNBEFDVKWCBFY-HYARGMPZSA-N
MW305.35 g/mol
LogP5.16
Rot. Bonds5

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

N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine (PubChem CID 791783) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
PubChem CID791783
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC NameN-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2/b22-14+
InChIKeyIWNBEFDVKWCBFY-HYARGMPZSA-N
XLogP5.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.35
LogP ≤ 55.16
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-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine (CID 791783) is N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine is Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine?
The InChIKey is IWNBEFDVKWCBFY-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2/b22-14+.
What are the key properties of N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine?
N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine has a molecular weight of 305.35 g/mol, XLogP of 5.16, 5 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-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 791783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).