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

C17H18FNO — CID 59510830

IUPAC4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCF)cc2)cc1
InChIInChI=1S/C17H18FNO/c1-19-16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)20-13-12-18/h2-11,19H,12-13H2,1H3/b3-2+
InChIKeyNOSBCJWMJMDIDW-NSCUHMNNSA-N
MW271.34 g/mol
LogP4.25
Rot. Bonds6

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

4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline (PubChem CID 59510830) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
PubChem CID59510830
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCF)cc2)cc1
InChIInChI=1S/C17H18FNO/c1-19-16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)20-13-12-18/h2-11,19H,12-13H2,1H3/b3-2+
InChIKeyNOSBCJWMJMDIDW-NSCUHMNNSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
CID 45485172
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
CID 72533525
4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
CID 75048273
N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline
CID 58757918
4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
CID 140511057
4-[(1E,3E,5E)-6-[4-[2-[2-[2-(2-(131I)iodoethoxy)ethoxy]ethoxy]ethoxy]phenyl]hexa-1,3,5-trienyl]-N-methyl(131I)aniline
CID 11649856
4-[(E)-2-[6-(4-fluorobutoxy)-1,3-benzoxazol-2-yl]ethenyl]-N-methylaniline
CID 142842122
2-[3-(123I)iodo-5-[2-[4-(methylamino)phenyl]ethenyl]phenoxy]ethanol
CID 91579470
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
N-[4-(2-fluoroethoxy)phenyl]-4-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 130185240
4-[2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 91048351

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline (CID 59510830) is 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCF)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline?
The InChIKey is NOSBCJWMJMDIDW-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)20-13-12-18/h2-11,19H,12-13H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline?
4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline has a molecular weight of 271.34 g/mol, XLogP of 4.25, 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)phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 59510830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).