(E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine

C16H16FNO — CID 59340396

IUPAC(E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1ccccc1-c1ccccc1F
InChIInChI=1S/C16H16FNO/c1-12(2)19-18-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3/b18-11+
InChIKeySQJHBQGDKVSACI-WOJGMQOQSA-N
MW257.31 g/mol
LogP4.25
Rot. Bonds4

About (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine

(E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine (PubChem CID 59340396) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine.

Molecular Properties

Compound Name(E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine
PubChem CID59340396
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine
SMILESCC(C)O/N=C/c1ccccc1-c1ccccc1F
InChIInChI=1S/C16H16FNO/c1-12(2)19-18-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3/b18-11+
InChIKeySQJHBQGDKVSACI-WOJGMQOQSA-N
XLogP4.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.25
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)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine?
The IUPAC name of (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine (CID 59340396) is (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine.
What is the SMILES notation for (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine?
The canonical SMILES for (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine is CC(C)O/N=C/c1ccccc1-c1ccccc1F.
What is the InChIKey of (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine?
The InChIKey is SQJHBQGDKVSACI-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(2)19-18-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3/b18-11+.
What are the key properties of (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine?
(E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine has a molecular weight of 257.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2-fluorophenyl)phenyl]-N-propan-2-yloxymethanimine is sourced from PubChem (CID 59340396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).