2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine

C24H19FN2O — CID 54857485

IUPAC2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine
SMILESFc1ccccc1COc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C24H19FN2O/c25-20-11-2-1-6-18(20)15-28-19-10-3-9-17(14-19)24-26-21-12-4-7-16-8-5-13-22(27-24)23(16)21/h1-14,24,26-27H,15H2
InChIKeyLYLWVNSTZNGBTA-UHFFFAOYSA-N
MW370.43 g/mol
LogP6.09
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine

2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine (PubChem CID 54857485) has the molecular formula C24H19FN2O and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine
PubChem CID54857485
Molecular FormulaC24H19FN2O
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine
SMILESFc1ccccc1COc1cccc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C24H19FN2O/c25-20-11-2-1-6-18(20)15-28-19-10-3-9-17(14-19)24-26-21-12-4-7-16-8-5-13-22(27-24)23(16)21/h1-14,24,26-27H,15H2
InChIKeyLYLWVNSTZNGBTA-UHFFFAOYSA-N
XLogP6.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine (CID 54857485) is 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine is Fc1ccccc1COc1cccc(C2Nc3cccc4cccc(c34)N2)c1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine?
The InChIKey is LYLWVNSTZNGBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O/c25-20-11-2-1-6-18(20)15-28-19-10-3-9-17(14-19)24-26-21-12-4-7-16-8-5-13-22(27-24)23(16)21/h1-14,24,26-27H,15H2.
What are the key properties of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine?
2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine has a molecular weight of 370.43 g/mol, XLogP of 6.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 54857485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).