2-(4-benzylphenoxy)ethanimine

C15H15NO — CID 173296115

IUPAC2-(4-benzylphenoxy)ethanimine
SMILES[H]/N=C/COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-10,16H,11-12H2/b16-10+
InChIKeyYPTDVQJYKAZGJX-MHWRWJLKSA-N
MW225.29 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-benzylphenoxy)ethanimine

2-(4-benzylphenoxy)ethanimine (PubChem CID 173296115) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)ethanimine.

Molecular Properties

Compound Name2-(4-benzylphenoxy)ethanimine
PubChem CID173296115
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(4-benzylphenoxy)ethanimine
SMILES[H]/N=C/COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-10,16H,11-12H2/b16-10+
InChIKeyYPTDVQJYKAZGJX-MHWRWJLKSA-N
XLogP3.31
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)ethanimine?
The IUPAC name of 2-(4-benzylphenoxy)ethanimine (CID 173296115) is 2-(4-benzylphenoxy)ethanimine.
What is the SMILES notation for 2-(4-benzylphenoxy)ethanimine?
The canonical SMILES for 2-(4-benzylphenoxy)ethanimine is [H]/N=C/COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)ethanimine?
The InChIKey is YPTDVQJYKAZGJX-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO/c16-10-11-17-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-10,16H,11-12H2/b16-10+.
What are the key properties of 2-(4-benzylphenoxy)ethanimine?
2-(4-benzylphenoxy)ethanimine has a molecular weight of 225.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)ethanimine is sourced from PubChem (CID 173296115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).