N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

C21H18FNO — CID 794207

IUPACN-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1F
InChIInChI=1S/C21H18FNO/c1-16-10-11-19(13-21(16)22)23-14-18-8-5-9-20(12-18)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b23-14+
InChIKeyPXLANMMICOQCNE-OEAKJJBVSA-N
MW319.38 g/mol
LogP5.46
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 794207) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID794207
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1F
InChIInChI=1S/C21H18FNO/c1-16-10-11-19(13-21(16)22)23-14-18-8-5-9-20(12-18)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b23-14+
InChIKeyPXLANMMICOQCNE-OEAKJJBVSA-N
XLogP5.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.46
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-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (CID 794207) is N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is PXLANMMICOQCNE-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18FNO/c1-16-10-11-19(13-21(16)22)23-14-18-8-5-9-20(12-18)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b23-14+.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine has a molecular weight of 319.38 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 794207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).