N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

C16H15F2NO3 — CID 2358363

IUPACN-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(F)ccc2F)cc(OC)c1OC
InChIInChI=1S/C16H15F2NO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-13-8-11(17)4-5-12(13)18/h4-9H,1-3H3/b19-9+
InChIKeyQEQJTRGOULLCPK-DJKKODMXSA-N
MW307.30 g/mol
LogP3.74
Rot. Bonds5

About N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 2358363) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID2358363
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(F)ccc2F)cc(OC)c1OC
InChIInChI=1S/C16H15F2NO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-13-8-11(17)4-5-12(13)18/h4-9H,1-3H3/b19-9+
InChIKeyQEQJTRGOULLCPK-DJKKODMXSA-N
XLogP3.74
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.74
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-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 2358363) is N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2cc(F)ccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is QEQJTRGOULLCPK-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-13-8-11(17)4-5-12(13)18/h4-9H,1-3H3/b19-9+.
What are the key properties of N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 307.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 2358363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).