2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine

C26H24FNO — CID 175064706

IUPAC2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
SMILESCON=C1CCCC(C)=C1c1c(C=Cc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C26H24FNO/c1-18-6-5-9-24(28-29-2)25(18)26-21(13-10-19-11-16-22(27)17-12-19)15-14-20-7-3-4-8-23(20)26/h3-4,7-8,10-17H,5-6,9H2,1-2H3
InChIKeyZJKJEOPGPXPJKL-UHFFFAOYSA-N
MW385.48 g/mol
LogP7.11
Rot. Bonds4

About 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine

2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine (PubChem CID 175064706) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
PubChem CID175064706
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
SMILESCON=C1CCCC(C)=C1c1c(C=Cc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C26H24FNO/c1-18-6-5-9-24(28-29-2)25(18)26-21(13-10-19-11-16-22(27)17-12-19)15-14-20-7-3-4-8-23(20)26/h3-4,7-8,10-17H,5-6,9H2,1-2H3
InChIKeyZJKJEOPGPXPJKL-UHFFFAOYSA-N
XLogP7.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 57.11
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine (CID 175064706) is 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine is CON=C1CCCC(C)=C1c1c(C=Cc2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine?
The InChIKey is ZJKJEOPGPXPJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c1-18-6-5-9-24(28-29-2)25(18)26-21(13-10-19-11-16-22(27)17-12-19)15-14-20-7-3-4-8-23(20)26/h3-4,7-8,10-17H,5-6,9H2,1-2H3.
What are the key properties of 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine?
2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine has a molecular weight of 385.48 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 175064706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).