(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine

C20H23FN2 — CID 19368301

IUPAC(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(/C=N/N=C/c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H23FN2/c1-3-4-5-6-17-9-11-18(12-10-17)14-22-23-15-19-8-7-16(2)20(21)13-19/h7-15H,3-6H2,1-2H3/b22-14+,23-15+
InChIKeyWXXRUQAEWYBFIV-HOFJZWJUSA-N
MW310.42 g/mol
LogP5.32
Rot. Bonds7

About (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine

(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine (PubChem CID 19368301) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
PubChem CID19368301
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCCCCCc1ccc(/C=N/N=C/c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H23FN2/c1-3-4-5-6-17-9-11-18(12-10-17)14-22-23-15-19-8-7-16(2)20(21)13-19/h7-15H,3-6H2,1-2H3/b22-14+,23-15+
InChIKeyWXXRUQAEWYBFIV-HOFJZWJUSA-N
XLogP5.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.32
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-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(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
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
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
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine (CID 19368301) is (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine is CCCCCc1ccc(/C=N/N=C/c2ccc(C)c(F)c2)cc1.
What is the InChIKey of (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
The InChIKey is WXXRUQAEWYBFIV-HOFJZWJUSA-N. The full InChI is InChI=1S/C20H23FN2/c1-3-4-5-6-17-9-11-18(12-10-17)14-22-23-15-19-8-7-16(2)20(21)13-19/h7-15H,3-6H2,1-2H3/b22-14+,23-15+.
What are the key properties of (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine?
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine has a molecular weight of 310.42 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine is sourced from PubChem (CID 19368301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).