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

C19H22FNO — CID 45485172

IUPAC4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCCCF)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-21-18-10-6-16(7-11-18)4-5-17-8-12-19(13-9-17)22-15-3-2-14-20/h4-13,21H,2-3,14-15H2,1H3/b5-4+
InChIKeyJOBDZRATDLECSG-SNAWJCMRSA-N
MW299.39 g/mol
LogP5.03
Rot. Bonds8

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

4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline (PubChem CID 45485172) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
PubChem CID45485172
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCCCF)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-21-18-10-6-16(7-11-18)4-5-17-8-12-19(13-9-17)22-15-3-2-14-20/h4-13,21H,2-3,14-15H2,1H3/b5-4+
InChIKeyJOBDZRATDLECSG-SNAWJCMRSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.39
LogP ≤ 55.03
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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Related Compounds

4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
CID 59510830
4-[(E)-2-[6-(4-fluorobutoxy)-1,3-benzoxazol-2-yl]ethenyl]-N-methylaniline
CID 142842122
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
4-hexoxy-N-methylaniline
CID 54803445
4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
CID 72533525
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-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
CID 75048273
2-[3-(123I)iodo-5-[2-[4-(methylamino)phenyl]ethenyl]phenoxy]ethanol
CID 91579470
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline (CID 45485172) is 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCCCF)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline?
The InChIKey is JOBDZRATDLECSG-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H22FNO/c1-21-18-10-6-16(7-11-18)4-5-17-8-12-19(13-9-17)22-15-3-2-14-20/h4-13,21H,2-3,14-15H2,1H3/b5-4+.
What are the key properties of 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline?
4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline has a molecular weight of 299.39 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 45485172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).