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

C28H29FN2 — CID 54260600

IUPAC1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
SMILESC=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1
InChIInChI=1S/C28H29FN2/c1-3-5-7-22-9-11-24(12-10-22)20-30-31-21-25-15-18-27(28(29)19-25)26-16-13-23(14-17-26)8-6-4-2/h3,9-21H,1,4-8H2,2H3
InChIKeyRDFQOJDVHRVOFY-UHFFFAOYSA-N
MW412.55 g/mol
LogP7.41
Rot. Bonds10

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

1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine (PubChem CID 54260600) has the molecular formula C28H29FN2 and a molecular weight of 412.55 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
PubChem CID54260600
Molecular FormulaC28H29FN2
Molecular Weight412.55 g/mol
Exact Mass412.23
IUPAC Name1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
SMILESC=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1
InChIInChI=1S/C28H29FN2/c1-3-5-7-22-9-11-24(12-10-22)20-30-31-21-25-15-18-27(28(29)19-25)26-16-13-23(14-17-26)8-6-4-2/h3,9-21H,1,4-8H2,2H3
InChIKeyRDFQOJDVHRVOFY-UHFFFAOYSA-N
XLogP7.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.55
LogP ≤ 57.41
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'}

Analyze 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
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
N-[(2-but-3-enylphenyl)methylideneamino]-1-[3-fluoro-4-(4-heptylphenyl)phenyl]methanimine
CID 70188653
1-[3-fluoro-4-(4-pentylphenyl)phenyl]-N-[(2-hex-5-enylphenyl)methylideneamino]methanimine
CID 70188436
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine
CID 70190968
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hept-6-enylphenyl)methylideneamino]methanimine
CID 70191067
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
The IUPAC name of 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine (CID 54260600) is 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
The canonical SMILES for 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine is C=CCCc1ccc(C=NN=Cc2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
The InChIKey is RDFQOJDVHRVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2/c1-3-5-7-22-9-11-24(12-10-22)20-30-31-21-25-15-18-27(28(29)19-25)26-16-13-23(14-17-26)8-6-4-2/h3,9-21H,1,4-8H2,2H3.
What are the key properties of 1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine?
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine has a molecular weight of 412.55 g/mol, XLogP of 7.41, 10 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-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine is sourced from PubChem (CID 54260600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).