N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine

C18H19NO — CID 44596423

IUPACN-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine
SMILESCC1(C)OC1/C=N/c1ccccc1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-18(2)17(20-18)13-19-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/b19-13+
InChIKeyXSAVWJLIJZQVBA-CPNJWEJPSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds4

About N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine

N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine (PubChem CID 44596423) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine
PubChem CID44596423
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine
SMILESCC1(C)OC1/C=N/c1ccccc1Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-18(2)17(20-18)13-19-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/b19-13+
InChIKeyXSAVWJLIJZQVBA-CPNJWEJPSA-N
XLogP4.16
TPSA24.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine?
The IUPAC name of N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine (CID 44596423) is N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine.
What is the SMILES notation for N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine?
The canonical SMILES for N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine is CC1(C)OC1/C=N/c1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine?
The InChIKey is XSAVWJLIJZQVBA-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2)17(20-18)13-19-16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/b19-13+.
What are the key properties of N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine?
N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine has a molecular weight of 265.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-(3,3-dimethyloxiran-2-yl)methanimine is sourced from PubChem (CID 44596423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).