N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine

C18H18FN — CID 139780617

IUPACN-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
SMILESC=CCCCc1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN/c1-2-3-4-5-15-6-8-16(9-7-15)14-20-18-12-10-17(19)11-13-18/h2,6-14H,1,3-5H2/b20-14+
InChIKeyQKAGWTJTAIUHSN-XSFVSMFZSA-N
MW267.35 g/mol
LogP5.09
Rot. Bonds6

About N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine

N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine (PubChem CID 139780617) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
PubChem CID139780617
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC NameN-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
SMILESC=CCCCc1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN/c1-2-3-4-5-15-6-8-16(9-7-15)14-20-18-12-10-17(19)11-13-18/h2,6-14H,1,3-5H2/b20-14+
InChIKeyQKAGWTJTAIUHSN-XSFVSMFZSA-N
XLogP5.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)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

(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344
1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
CID 139780637
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
CID 139780766
1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
CID 67639601
1-fluoro-4-non-8-enylbenzene
CID 57222789
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine (CID 139780617) is N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine is C=CCCCc1ccc(/C=N/c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine?
The InChIKey is QKAGWTJTAIUHSN-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H18FN/c1-2-3-4-5-15-6-8-16(9-7-15)14-20-18-12-10-17(19)11-13-18/h2,6-14H,1,3-5H2/b20-14+.
What are the key properties of N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine?
N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine has a molecular weight of 267.35 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine is sourced from PubChem (CID 139780617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).