(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine

C21H25FN2 — CID 19368563

IUPAC(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(/C=N/N=C/c2ccc(CC)c(F)c2)cc1
InChIInChI=1S/C21H25FN2/c1-3-5-6-7-17-8-10-18(11-9-17)15-23-24-16-19-12-13-20(4-2)21(22)14-19/h8-16H,3-7H2,1-2H3/b23-15+,24-16+
InChIKeyGASFWVKNYYTPQO-DFEHQXHXSA-N
MW324.44 g/mol
LogP5.57
Rot. Bonds8

About (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine

(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine (PubChem CID 19368563) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
PubChem CID19368563
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(/C=N/N=C/c2ccc(CC)c(F)c2)cc1
InChIInChI=1S/C21H25FN2/c1-3-5-6-7-17-8-10-18(11-9-17)15-23-24-16-19-12-13-20(4-2)21(22)14-19/h8-16H,3-7H2,1-2H3/b23-15+,24-16+
InChIKeyGASFWVKNYYTPQO-DFEHQXHXSA-N
XLogP5.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.57
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

(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine
CID 70190968
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
1-ethyl-2-fluoro-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112225
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368957

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine (CID 19368563) is (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine is CCCCCc1ccc(/C=N/N=C/c2ccc(CC)c(F)c2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The InChIKey is GASFWVKNYYTPQO-DFEHQXHXSA-N. The full InChI is InChI=1S/C21H25FN2/c1-3-5-6-7-17-8-10-18(11-9-17)15-23-24-16-19-12-13-20(4-2)21(22)14-19/h8-16H,3-7H2,1-2H3/b23-15+,24-16+.
What are the key properties of (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine has a molecular weight of 324.44 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine is sourced from PubChem (CID 19368563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).