2-(4-methoxyphenyl)-N-phenylethanimine oxide

C15H15NO2 — CID 72617002

IUPAC2-(4-methoxyphenyl)-N-phenylethanimine oxide
SMILESCOc1ccc(CC=[N+]([O-])c2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-18-15-9-7-13(8-10-15)11-12-16(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyBMXZLAQZQQKWML-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-phenylethanimine oxide

2-(4-methoxyphenyl)-N-phenylethanimine oxide (PubChem CID 72617002) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-phenylethanimine oxide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-phenylethanimine oxide
PubChem CID72617002
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(4-methoxyphenyl)-N-phenylethanimine oxide
SMILESCOc1ccc(CC=[N+]([O-])c2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-18-15-9-7-13(8-10-15)11-12-16(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyBMXZLAQZQQKWML-UHFFFAOYSA-N
XLogP3.15
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.15
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

(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide
CID 14687590
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
CID 118455718
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
N-methyl-2-phenylethanimine oxide
CID 75577546
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
CID 138974571
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-phenylethanimine oxide?
The IUPAC name of 2-(4-methoxyphenyl)-N-phenylethanimine oxide (CID 72617002) is 2-(4-methoxyphenyl)-N-phenylethanimine oxide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-phenylethanimine oxide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-phenylethanimine oxide is COc1ccc(CC=[N+]([O-])c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-phenylethanimine oxide?
The InChIKey is BMXZLAQZQQKWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15-9-7-13(8-10-15)11-12-16(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-phenylethanimine oxide?
2-(4-methoxyphenyl)-N-phenylethanimine oxide has a molecular weight of 241.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-phenylethanimine oxide is sourced from PubChem (CID 72617002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).