4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline

C23H30FNO — CID 45485173

IUPAC4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCCCCCCCF)cc2)cc1
InChIInChI=1S/C23H30FNO/c1-25-22-14-10-20(11-15-22)8-9-21-12-16-23(17-13-21)26-19-7-5-3-2-4-6-18-24/h8-17,25H,2-7,18-19H2,1H3/b9-8+
InChIKeyLZGBYOJNDHEIIK-CMDGGOBGSA-N
MW355.50 g/mol
LogP6.59
Rot. Bonds12

About 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline

4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline (PubChem CID 45485173) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline
PubChem CID45485173
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC Name4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCCCCCCCF)cc2)cc1
InChIInChI=1S/C23H30FNO/c1-25-22-14-10-20(11-15-22)8-9-21-12-16-23(17-13-21)26-19-7-5-3-2-4-6-18-24/h8-17,25H,2-7,18-19H2,1H3/b9-8+
InChIKeyLZGBYOJNDHEIIK-CMDGGOBGSA-N
XLogP6.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline (CID 45485173) is 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCCCCCCCF)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline?
The InChIKey is LZGBYOJNDHEIIK-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H30FNO/c1-25-22-14-10-20(11-15-22)8-9-21-12-16-23(17-13-21)26-19-7-5-3-2-4-6-18-24/h8-17,25H,2-7,18-19H2,1H3/b9-8+.
What are the key properties of 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline?
4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline has a molecular weight of 355.50 g/mol, XLogP of 6.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(8-fluorooctoxy)phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 45485173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).