1-(4-phenoxyphenyl)-N-phenylmethanimine

C19H15NO — CID 690951

IUPAC1-(4-phenoxyphenyl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H15NO/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h1-15H/b20-15+
InChIKeyPBEQUZNFMPJFMJ-HMMYKYKNSA-N
MW273.33 g/mol
LogP5.23
Rot. Bonds4

About 1-(4-phenoxyphenyl)-N-phenylmethanimine

1-(4-phenoxyphenyl)-N-phenylmethanimine (PubChem CID 690951) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-N-phenylmethanimine
PubChem CID690951
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name1-(4-phenoxyphenyl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H15NO/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h1-15H/b20-15+
InChIKeyPBEQUZNFMPJFMJ-HMMYKYKNSA-N
XLogP5.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.33
LogP ≤ 55.23
H-Bond Donors ≤ 50
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 1-(4-phenoxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(4-phenoxyphenyl)-N-phenylmethanimine (CID 690951) is 1-(4-phenoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(4-phenoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(4-phenoxyphenyl)-N-phenylmethanimine is C(=N/c1ccccc1)\c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-N-phenylmethanimine?
The InChIKey is PBEQUZNFMPJFMJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H15NO/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h1-15H/b20-15+.
What are the key properties of 1-(4-phenoxyphenyl)-N-phenylmethanimine?
1-(4-phenoxyphenyl)-N-phenylmethanimine has a molecular weight of 273.33 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 690951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).