1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine

C26H25FN2 — CID 54082763

IUPAC1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
SMILESC=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(CC)cc3)c(F)c2)cc1
InChIInChI=1S/C26H25FN2/c1-3-5-6-21-7-9-22(10-8-21)18-28-29-19-23-13-16-25(26(27)17-23)24-14-11-20(4-2)12-15-24/h3,7-19H,1,4-6H2,2H3
InChIKeyMOGXICAYOUVXJR-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.63
Rot. Bonds8

About 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine

1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine (PubChem CID 54082763) has the molecular formula C26H25FN2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
PubChem CID54082763
Molecular FormulaC26H25FN2
Molecular Weight384.50 g/mol
Exact Mass384.20
IUPAC Name1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
SMILESC=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(CC)cc3)c(F)c2)cc1
InChIInChI=1S/C26H25FN2/c1-3-5-6-21-7-9-22(10-8-21)18-28-29-19-23-13-16-25(26(27)17-23)24-14-11-20(4-2)12-15-24/h3,7-19H,1,4-6H2,2H3
InChIKeyMOGXICAYOUVXJR-UHFFFAOYSA-N
XLogP6.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.63
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-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
CID 54281249
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
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hept-6-enylphenyl)methylideneamino]methanimine
CID 70191067
N-[(2-but-3-enylphenyl)methylideneamino]-1-[3-fluoro-4-(4-heptylphenyl)phenyl]methanimine
CID 70188653
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-[3-fluoro-4-(4-pentylphenyl)phenyl]-N-[(2-hex-5-enylphenyl)methylideneamino]methanimine
CID 70188436
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
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine
CID 70188686
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
The IUPAC name of 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine (CID 54082763) is 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
The canonical SMILES for 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine is C=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
The InChIKey is MOGXICAYOUVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2/c1-3-5-6-21-7-9-22(10-8-21)18-28-29-19-23-13-16-25(26(27)17-23)24-14-11-20(4-2)12-15-24/h3,7-19H,1,4-6H2,2H3.
What are the key properties of 1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine has a molecular weight of 384.50 g/mol, XLogP of 6.63, 8 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-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine is sourced from PubChem (CID 54082763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).