N-benzyl-1-phenylethanimine oxide

C15H15NO — CID 85132438

IUPACN-benzyl-1-phenylethanimine oxide
SMILESCC(c1ccccc1)=[N+]([O-])Cc1ccccc1
InChIInChI=1S/C15H15NO/c1-13(15-10-6-3-7-11-15)16(17)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyNDJSEWJFTKNFHJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.21
Rot. Bonds3

About N-benzyl-1-phenylethanimine oxide

N-benzyl-1-phenylethanimine oxide (PubChem CID 85132438) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-benzyl-1-phenylethanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-phenylethanimine oxide
PubChem CID85132438
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-benzyl-1-phenylethanimine oxide
SMILESCC(c1ccccc1)=[N+]([O-])Cc1ccccc1
InChIInChI=1S/C15H15NO/c1-13(15-10-6-3-7-11-15)16(17)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyNDJSEWJFTKNFHJ-UHFFFAOYSA-N
XLogP3.21
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-benzyl-1-(4-methoxyphenyl)ethanimine oxide
CID 10377662
methanol;nitromethylbenzene
CID 175133147
N-benzyl-4-(1,3-dioxoisoindol-2-yl)butan-2-imine oxide
CID 177444458
benzhydrylidene-benzyl-(difluoromethyl)azanium
CID 177428875
1,1-dinitroethane;nitromethylbenzene
CID 88650316
benzyl-propan-2-yl-propan-2-ylideneazanium iodide
CID 134894455
(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide
CID 154478749
nitromethane;1-phenylethanone
CID 91277497
benzyl-ethylidene-hydroxyazanium
CID 173075170
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
benzyl-hydroxy-methylideneazanium
CID 54307457
4-fluoro-1,5-diphenylhex-4-en-3-one
CID 57365966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylethanimine oxide?
The IUPAC name of N-benzyl-1-phenylethanimine oxide (CID 85132438) is N-benzyl-1-phenylethanimine oxide.
What is the SMILES notation for N-benzyl-1-phenylethanimine oxide?
The canonical SMILES for N-benzyl-1-phenylethanimine oxide is CC(c1ccccc1)=[N+]([O-])Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenylethanimine oxide?
The InChIKey is NDJSEWJFTKNFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-13(15-10-6-3-7-11-15)16(17)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-1-phenylethanimine oxide?
N-benzyl-1-phenylethanimine oxide has a molecular weight of 225.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylethanimine oxide is sourced from PubChem (CID 85132438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).