1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine

C25H23FN2 — CID 54281249

IUPAC1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
SMILESC=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(C)cc3F)cc2)cc1
InChIInChI=1S/C25H23FN2/c1-3-4-5-20-7-9-21(10-8-20)17-27-28-18-22-11-13-23(14-12-22)24-15-6-19(2)16-25(24)26/h3,6-18H,1,4-5H2,2H3
InChIKeyRQXYHSDGPQWRCJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP6.37
Rot. Bonds7

About 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine

1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine (PubChem CID 54281249) has the molecular formula C25H23FN2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
PubChem CID54281249
Molecular FormulaC25H23FN2
Molecular Weight370.47 g/mol
Exact Mass370.18
IUPAC Name1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
SMILESC=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(C)cc3F)cc2)cc1
InChIInChI=1S/C25H23FN2/c1-3-4-5-20-7-9-21(10-8-20)17-27-28-18-22-11-13-23(14-12-22)24-15-6-19(2)16-25(24)26/h3,6-18H,1,4-5H2,2H3
InChIKeyRQXYHSDGPQWRCJ-UHFFFAOYSA-N
XLogP6.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 161078313
N-[(2-but-3-enylphenyl)methylideneamino]-1-[3-fluoro-4-(4-heptylphenyl)phenyl]methanimine
CID 70188653
1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
CID 67639601
1-[3-fluoro-4-(4-pentylphenyl)phenyl]-N-[(2-hex-5-enylphenyl)methylideneamino]methanimine
CID 70188436
5-[4-(4-but-3-enylphenyl)-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 59207606
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
2-fluoro-4-methyl-1-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 139764838

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine?
The IUPAC name of 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine (CID 54281249) is 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine?
The canonical SMILES for 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine is C=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(C)cc3F)cc2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine?
The InChIKey is RQXYHSDGPQWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2/c1-3-4-5-20-7-9-21(10-8-20)17-27-28-18-22-11-13-23(14-12-22)24-15-6-19(2)16-25(24)26/h3,6-18H,1,4-5H2,2H3.
What are the key properties of 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine?
1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine has a molecular weight of 370.47 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 54281249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).