N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide

C14H12FNO2 — CID 118155996

IUPACN-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide
SMILESC=[N+]([O-])c1ccc(Oc2ccccc2F)cc1C
InChIInChI=1S/C14H12FNO2/c1-10-9-11(7-8-13(10)16(2)17)18-14-6-4-3-5-12(14)15/h3-9H,2H2,1H3
InChIKeyVMQFHEXKDMZJGC-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.77
Rot. Bonds3

About N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide

N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide (PubChem CID 118155996) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide
PubChem CID118155996
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC NameN-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide
SMILESC=[N+]([O-])c1ccc(Oc2ccccc2F)cc1C
InChIInChI=1S/C14H12FNO2/c1-10-9-11(7-8-13(10)16(2)17)18-14-6-4-3-5-12(14)15/h3-9H,2H2,1H3
InChIKeyVMQFHEXKDMZJGC-UHFFFAOYSA-N
XLogP3.77
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
4-(2-bromophenoxy)-2-methyl-1-nitrobenzene
CID 20610463
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
5-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662448
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide?
The IUPAC name of N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide (CID 118155996) is N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide?
The canonical SMILES for N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide is C=[N+]([O-])c1ccc(Oc2ccccc2F)cc1C.
What is the InChIKey of N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide?
The InChIKey is VMQFHEXKDMZJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-10-9-11(7-8-13(10)16(2)17)18-14-6-4-3-5-12(14)15/h3-9H,2H2,1H3.
What are the key properties of N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide?
N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide has a molecular weight of 245.25 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide is sourced from PubChem (CID 118155996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).