N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine

C16H15NO2 — CID 11054172

IUPACN-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine
SMILESc1ccc(C(=NOCC2CO2)c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)17-19-12-15-11-18-15/h1-10,15H,11-12H2
InChIKeyAGEKQDWKVCMEMS-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.85
Rot. Bonds5

About N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine

N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine (PubChem CID 11054172) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine
PubChem CID11054172
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine
SMILESc1ccc(C(=NOCC2CO2)c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)17-19-12-15-11-18-15/h1-10,15H,11-12H2
InChIKeyAGEKQDWKVCMEMS-UHFFFAOYSA-N
XLogP2.85
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
oxiran-2-ylmethyl benzenecarboperoxoate
CID 154251538
2-(oxiran-2-ylmethoxy)ethyl benzoate
CID 13013250
N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine
CID 54051290
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine
CID 164930301
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol
CID 14937987
ethene;2-(phenoxymethyl)oxirane
CID 135283522
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine?
The IUPAC name of N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine (CID 11054172) is N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine?
The canonical SMILES for N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine is c1ccc(C(=NOCC2CO2)c2ccccc2)cc1.
What is the InChIKey of N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine?
The InChIKey is AGEKQDWKVCMEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)17-19-12-15-11-18-15/h1-10,15H,11-12H2.
What are the key properties of N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine?
N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine has a molecular weight of 253.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine is sourced from PubChem (CID 11054172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).