1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine

C20H22F2N2 — CID 54200575

IUPAC1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
SMILESCCCCc1ccc(C=NN=Cc2cc(F)c(CC)c(F)c2)cc1
InChIInChI=1S/C20H22F2N2/c1-3-5-6-15-7-9-16(10-8-15)13-23-24-14-17-11-19(21)18(4-2)20(22)12-17/h7-14H,3-6H2,1-2H3
InChIKeyPOYJIOZJRUVWKG-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.32
Rot. Bonds7

About 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine

1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine (PubChem CID 54200575) has the molecular formula C20H22F2N2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
PubChem CID54200575
Molecular FormulaC20H22F2N2
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
SMILESCCCCc1ccc(C=NN=Cc2cc(F)c(CC)c(F)c2)cc1
InChIInChI=1S/C20H22F2N2/c1-3-5-6-15-7-9-16(10-8-15)13-23-24-14-17-11-19(21)18(4-2)20(22)12-17/h7-14H,3-6H2,1-2H3
InChIKeyPOYJIOZJRUVWKG-UHFFFAOYSA-N
XLogP5.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-(4-ethyl-3,5-difluorophenyl)methylideneamino]-1-(4-ethylphenyl)methanimine
CID 19368686
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
(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 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine?
The IUPAC name of 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine (CID 54200575) is 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine?
The canonical SMILES for 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine is CCCCc1ccc(C=NN=Cc2cc(F)c(CC)c(F)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine?
The InChIKey is POYJIOZJRUVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2/c1-3-5-6-15-7-9-16(10-8-15)13-23-24-14-17-11-19(21)18(4-2)20(22)12-17/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine?
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine has a molecular weight of 328.41 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 1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine is sourced from PubChem (CID 54200575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).