1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide

C18H19F2NO2 — CID 15516632

IUPAC1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide
SMILESCC(C)(COCc1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c1-18(2,13-23-12-14-6-4-3-5-7-14)21(22)11-15-8-9-16(19)10-17(15)20/h3-11H,12-13H2,1-2H3/b21-11-
InChIKeyIXYYOXAEQIJSIG-NHDPSOOVSA-N
MW319.35 g/mol
LogP3.89
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide

1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide (PubChem CID 15516632) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide
PubChem CID15516632
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide
SMILESCC(C)(COCc1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c1-18(2,13-23-12-14-6-4-3-5-7-14)21(22)11-15-8-9-16(19)10-17(15)20/h3-11H,12-13H2,1-2H3/b21-11-
InChIKeyIXYYOXAEQIJSIG-NHDPSOOVSA-N
XLogP3.89
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.89
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

Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
2-(2-Fluorophenyl)-4,4-dimethyl-2-oxazoline
CID 10888794
2-(3-Fluorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 12548376
(4S)-2-(2-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 15643582
[2-(4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane
CID 72982768
2-(4-Fluorophenyl)-4-methoxy-4,5-dihydro-1,3-oxazole
CID 132530333
N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide
CID 5894161
Benzyl(2-(benzyloxy)-1-phenylethyl)azane oxide
CID 6285465
2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11214314
chloro-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-(4-methylphenyl)bismuthane
CID 88302582
1-phenyl-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
CID 5466985
(E,2R)-3,3-difluoro-N,2-bis(phenylmethoxy)butan-1-imine
CID 15038957

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide (CID 15516632) is 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide is CC(C)(COCc1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide?
The InChIKey is IXYYOXAEQIJSIG-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-18(2,13-23-12-14-6-4-3-5-7-14)21(22)11-15-8-9-16(19)10-17(15)20/h3-11H,12-13H2,1-2H3/b21-11-.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide?
1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide has a molecular weight of 319.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2-methyl-1-phenylmethoxypropan-2-yl)methanimine oxide is sourced from PubChem (CID 15516632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).