4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline

C18H20FNO — CID 59821440

IUPAC4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCF)c(C)c2)cc1
InChIInChI=1S/C18H20FNO/c1-14-13-16(7-10-18(14)21-12-11-19)4-3-15-5-8-17(20-2)9-6-15/h3-10,13,20H,11-12H2,1-2H3/b4-3+
InChIKeyPRTQPFLYLISRDL-ONEGZZNKSA-N
MW285.36 g/mol
LogP4.56
Rot. Bonds6

About 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline

4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline (PubChem CID 59821440) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline
PubChem CID59821440
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCF)c(C)c2)cc1
InChIInChI=1S/C18H20FNO/c1-14-13-16(7-10-18(14)21-12-11-19)4-3-15-5-8-17(20-2)9-6-15/h3-10,13,20H,11-12H2,1-2H3/b4-3+
InChIKeyPRTQPFLYLISRDL-ONEGZZNKSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline (CID 59821440) is 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCF)c(C)c2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline?
The InChIKey is PRTQPFLYLISRDL-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14-13-16(7-10-18(14)21-12-11-19)4-3-15-5-8-17(20-2)9-6-15/h3-10,13,20H,11-12H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline?
4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline has a molecular weight of 285.36 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(2-fluoroethoxy)-3-methylphenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 59821440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).