N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine

C18H19F2NO — CID 23824055

IUPACN-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine
SMILESCC(C)CCOc1ccc(/C=N/c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H19F2NO/c1-13(2)9-10-22-16-6-3-14(4-7-16)12-21-18-11-15(19)5-8-17(18)20/h3-8,11-13H,9-10H2,1-2H3/b21-12+
InChIKeyDWGWALRIFKFIFT-CIAFOILYSA-N
MW303.35 g/mol
LogP5.14
Rot. Bonds6

About N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine

N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine (PubChem CID 23824055) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine
PubChem CID23824055
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC NameN-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine
SMILESCC(C)CCOc1ccc(/C=N/c2cc(F)ccc2F)cc1
InChIInChI=1S/C18H19F2NO/c1-13(2)9-10-22-16-6-3-14(4-7-16)12-21-18-11-15(19)5-8-17(18)20/h3-8,11-13H,9-10H2,1-2H3/b21-12+
InChIKeyDWGWALRIFKFIFT-CIAFOILYSA-N
XLogP5.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.35
LogP ≤ 55.14
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-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine?
The IUPAC name of N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine (CID 23824055) is N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine is CC(C)CCOc1ccc(/C=N/c2cc(F)ccc2F)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine?
The InChIKey is DWGWALRIFKFIFT-CIAFOILYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-13(2)9-10-22-16-6-3-14(4-7-16)12-21-18-11-15(19)5-8-17(18)20/h3-8,11-13H,9-10H2,1-2H3/b21-12+.
What are the key properties of N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine?
N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine has a molecular weight of 303.35 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-[4-(3-methylbutoxy)phenyl]methanimine is sourced from PubChem (CID 23824055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).