1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine

C28H31FN2 — CID 70188686

IUPAC1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine
SMILESCCCCCCc1ccccc1C=NN=Cc1ccc(-c2ccc(CC)cc2)c(F)c1
InChIInChI=1S/C28H31FN2/c1-3-5-6-7-10-24-11-8-9-12-26(24)21-31-30-20-23-15-18-27(28(29)19-23)25-16-13-22(4-2)14-17-25/h8-9,11-21H,3-7,10H2,1-2H3
InChIKeyAQFHOYATGYWURI-UHFFFAOYSA-N
MW414.57 g/mol
LogP7.63
Rot. Bonds10

About 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine

1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine (PubChem CID 70188686) has the molecular formula C28H31FN2 and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine
PubChem CID70188686
Molecular FormulaC28H31FN2
Molecular Weight414.57 g/mol
Exact Mass414.25
IUPAC Name1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine
SMILESCCCCCCc1ccccc1C=NN=Cc1ccc(-c2ccc(CC)cc2)c(F)c1
InChIInChI=1S/C28H31FN2/c1-3-5-6-7-10-24-11-8-9-12-26(24)21-31-30-20-23-15-18-27(28(29)19-23)25-16-13-22(4-2)14-17-25/h8-9,11-21H,3-7,10H2,1-2H3
InChIKeyAQFHOYATGYWURI-UHFFFAOYSA-N
XLogP7.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1-[3-fluoro-4-(4-pentylphenyl)phenyl]-N-[(2-hex-5-enylphenyl)methylideneamino]methanimine
CID 70188436
N-[(2-but-3-enylphenyl)methylideneamino]-1-[3-fluoro-4-(4-heptylphenyl)phenyl]methanimine
CID 70188653
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
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
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine?
The IUPAC name of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine (CID 70188686) is 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine.
What is the SMILES notation for 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine?
The canonical SMILES for 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine is CCCCCCc1ccccc1C=NN=Cc1ccc(-c2ccc(CC)cc2)c(F)c1.
What is the InChIKey of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine?
The InChIKey is AQFHOYATGYWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2/c1-3-5-6-7-10-24-11-8-9-12-26(24)21-31-30-20-23-15-18-27(28(29)19-23)25-16-13-22(4-2)14-17-25/h8-9,11-21H,3-7,10H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine?
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine has a molecular weight of 414.57 g/mol, XLogP of 7.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 70188686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).