1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine

C25H24FN — CID 139780589

IUPAC1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
SMILESC=CCCc1ccc(/C=N/c2ccc(-c3ccc(CC)cc3F)cc2)cc1
InChIInChI=1S/C25H24FN/c1-3-5-6-20-7-9-21(10-8-20)18-27-23-14-12-22(13-15-23)24-16-11-19(4-2)17-25(24)26/h3,7-18H,1,4-6H2,2H3/b27-18+
InChIKeyGZAFPJISHTYJTH-OVVQPSECSA-N
MW357.47 g/mol
LogP6.92
Rot. Bonds7

About 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine

1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine (PubChem CID 139780589) has the molecular formula C25H24FN and a molecular weight of 357.47 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
PubChem CID139780589
Molecular FormulaC25H24FN
Molecular Weight357.47 g/mol
Exact Mass357.19
IUPAC Name1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
SMILESC=CCCc1ccc(/C=N/c2ccc(-c3ccc(CC)cc3F)cc2)cc1
InChIInChI=1S/C25H24FN/c1-3-5-6-20-7-9-21(10-8-20)18-27-23-14-12-22(13-15-23)24-16-11-19(4-2)17-25(24)26/h3,7-18H,1,4-6H2,2H3/b27-18+
InChIKeyGZAFPJISHTYJTH-OVVQPSECSA-N
XLogP6.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
CID 54281249
1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
CID 139780766
1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
CID 67639601
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
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-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
N-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
CID 139780616
2-[4-(4-but-3-enylphenyl)-3-fluorophenyl]-6-ethylnaphthalene-1-carbaldehyde
CID 87486956

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
The IUPAC name of 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine (CID 139780589) is 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
The canonical SMILES for 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine is C=CCCc1ccc(/C=N/c2ccc(-c3ccc(CC)cc3F)cc2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
The InChIKey is GZAFPJISHTYJTH-OVVQPSECSA-N. The full InChI is InChI=1S/C25H24FN/c1-3-5-6-20-7-9-21(10-8-20)18-27-23-14-12-22(13-15-23)24-16-11-19(4-2)17-25(24)26/h3,7-18H,1,4-6H2,2H3/b27-18+.
What are the key properties of 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine?
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine has a molecular weight of 357.47 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine is sourced from PubChem (CID 139780589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).