(E)-N-(2-methylphenoxy)-1-phenylethanimine

C15H15NO — CID 134845910

IUPAC(E)-N-(2-methylphenoxy)-1-phenylethanimine
SMILESC/C(=N\Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C15H15NO/c1-12-8-6-7-11-15(12)17-16-13(2)14-9-4-3-5-10-14/h3-11H,1-2H3/b16-13+
InChIKeySRBOLWZULWHYDN-DTQAZKPQSA-N
MW225.29 g/mol
LogP3.80
Rot. Bonds3

About (E)-N-(2-methylphenoxy)-1-phenylethanimine

(E)-N-(2-methylphenoxy)-1-phenylethanimine (PubChem CID 134845910) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (E)-N-(2-methylphenoxy)-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-(2-methylphenoxy)-1-phenylethanimine
PubChem CID134845910
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(E)-N-(2-methylphenoxy)-1-phenylethanimine
SMILESC/C(=N\Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C15H15NO/c1-12-8-6-7-11-15(12)17-16-13(2)14-9-4-3-5-10-14/h3-11H,1-2H3/b16-13+
InChIKeySRBOLWZULWHYDN-DTQAZKPQSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.80
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylphenoxy)-1-phenylethanimine?
The IUPAC name of (E)-N-(2-methylphenoxy)-1-phenylethanimine (CID 134845910) is (E)-N-(2-methylphenoxy)-1-phenylethanimine.
What is the SMILES notation for (E)-N-(2-methylphenoxy)-1-phenylethanimine?
The canonical SMILES for (E)-N-(2-methylphenoxy)-1-phenylethanimine is C/C(=N\Oc1ccccc1C)c1ccccc1.
What is the InChIKey of (E)-N-(2-methylphenoxy)-1-phenylethanimine?
The InChIKey is SRBOLWZULWHYDN-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-8-6-7-11-15(12)17-16-13(2)14-9-4-3-5-10-14/h3-11H,1-2H3/b16-13+.
What are the key properties of (E)-N-(2-methylphenoxy)-1-phenylethanimine?
(E)-N-(2-methylphenoxy)-1-phenylethanimine has a molecular weight of 225.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylphenoxy)-1-phenylethanimine is sourced from PubChem (CID 134845910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).