1-phenyl-N-(2-phenylethyl)methanimine oxide

C15H15NO — CID 86223025

IUPAC1-phenyl-N-(2-phenylethyl)methanimine oxide
SMILES[O-][N+](=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C15H15NO/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyHOUXEYCJIRBCSW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.86
Rot. Bonds4

About 1-phenyl-N-(2-phenylethyl)methanimine oxide

1-phenyl-N-(2-phenylethyl)methanimine oxide (PubChem CID 86223025) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylethyl)methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylethyl)methanimine oxide
PubChem CID86223025
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-phenyl-N-(2-phenylethyl)methanimine oxide
SMILES[O-][N+](=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C15H15NO/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyHOUXEYCJIRBCSW-UHFFFAOYSA-N
XLogP2.86
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.86
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

1-phenyl-N-(3-phenylpropyl)methanimine oxide
CID 53396692
benzylidene-methyl-(2-phenylethyl)azanium
CID 23221595
N-benzyl-1-[4-[(E)-[benzyl(oxido)azaniumylidene]methyl]phenyl]methanimine oxide
CID 139236481
N-(3-ethoxy-3-oxopropyl)-1-phenylmethanimine oxide
CID 98535720
N-[(4S)-4-carboxy-4-[methyl(phenylmethoxycarbonyl)amino]butyl]-1-phenylmethanimine oxide
CID 10894293
benzene;2-phenylethylbenzene
CID 18982764
N-benzyl-1-(3-nitrophenyl)methanimine oxide
CID 177424048
N-[(2R,3S)-2,3-dihydroxypent-4-enyl]-1-phenylmethanimine oxide
CID 177475971
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide
CID 6111601
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylethyl)methanimine oxide?
The IUPAC name of 1-phenyl-N-(2-phenylethyl)methanimine oxide (CID 86223025) is 1-phenyl-N-(2-phenylethyl)methanimine oxide.
What is the SMILES notation for 1-phenyl-N-(2-phenylethyl)methanimine oxide?
The canonical SMILES for 1-phenyl-N-(2-phenylethyl)methanimine oxide is [O-][N+](=Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylethyl)methanimine oxide?
The InChIKey is HOUXEYCJIRBCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2.
What are the key properties of 1-phenyl-N-(2-phenylethyl)methanimine oxide?
1-phenyl-N-(2-phenylethyl)methanimine oxide has a molecular weight of 225.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylethyl)methanimine oxide is sourced from PubChem (CID 86223025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).