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

C22H21NO2 — CID 6285465

IUPAC1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)C(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-23(16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-25-17-20-12-6-2-7-13-20/h1-16,22H,17-18H2/b23-16-
InChIKeyRCVJLZCROUDKMD-KQWNVCNZSA-N
MW331.42 g/mol
LogP4.57
Rot. Bonds7

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

1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide (PubChem CID 6285465) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide
PubChem CID6285465
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)C(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-23(16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-25-17-20-12-6-2-7-13-20/h1-16,22H,17-18H2/b23-16-
InChIKeyRCVJLZCROUDKMD-KQWNVCNZSA-N
XLogP4.57
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.57
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'}

Analyze 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2-Iodophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853168
4-Phenyl-2-(o-tolyl)-4,5-dihydrooxazole
CID 14853170
(4R)-4,5-Dihydro-2-(4-methylphenyl)-4-phenyloxazole
CID 44414834
2-(2-Fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414846
(R,S)-BisPh-mebBox
CID 3701334
Iqagkpdfdjlird-uhfffaoysa-
CID 3732905
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide?
The IUPAC name of 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide (CID 6285465) is 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide.
What is the SMILES notation for 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide?
The canonical SMILES for 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide is [O-]/[N+](=C\c1ccccc1)C(COCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide?
The InChIKey is RCVJLZCROUDKMD-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H21NO2/c24-23(16-19-10-4-1-5-11-19)22(21-14-8-3-9-15-21)18-25-17-20-12-6-2-7-13-20/h1-16,22H,17-18H2/b23-16-.
What are the key properties of 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide?
1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide has a molecular weight of 331.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenyl-2-phenylmethoxyethyl)methanimine oxide is sourced from PubChem (CID 6285465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).