1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide

C17H19NO2 — CID 3800043

IUPAC1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide
SMILESCOc1ccc(C=[N+]([O-])C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-17(2,15-7-5-4-6-8-15)18(19)13-14-9-11-16(20-3)12-10-14/h4-13H,1-3H3
InChIKeyYNKAQTAPVAVJGZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide

1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide (PubChem CID 3800043) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide
PubChem CID3800043
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide
SMILESCOc1ccc(C=[N+]([O-])C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-17(2,15-7-5-4-6-8-15)18(19)13-14-9-11-16(20-3)12-10-14/h4-13H,1-3H3
InChIKeyYNKAQTAPVAVJGZ-UHFFFAOYSA-N
XLogP3.56
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.56
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

sodium (4-methoxyphenyl)methylidene-dioxidoazanium
CID 53304439
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(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
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1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide
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[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
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1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
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1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
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(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide
CID 14687590
N-tert-butyl-1-[4-(trifluoromethoxy)phenyl]methanimine oxide
CID 20640189
1-(4-carboxyphenyl)-N-phenylmethanimine oxide;methane;4-methoxybenzoic acid;N-phenylhydroxylamine
CID 159515207

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide (CID 3800043) is 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide is COc1ccc(C=[N+]([O-])C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide?
The InChIKey is YNKAQTAPVAVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,15-7-5-4-6-8-15)18(19)13-14-9-11-16(20-3)12-10-14/h4-13H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide?
1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide has a molecular weight of 269.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide is sourced from PubChem (CID 3800043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).