1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine

C18H19FN2 — CID 140983623

IUPAC1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
SMILESCCCCc1ccc(C=NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2/c1-2-3-4-15-5-7-16(8-6-15)13-20-21-14-17-9-11-18(19)12-10-17/h5-14H,2-4H2,1H3
InChIKeyFZLUYKWRQOVIAW-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.62
Rot. Bonds6

About 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine

1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine (PubChem CID 140983623) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
PubChem CID140983623
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
SMILESCCCCc1ccc(C=NN=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2/c1-2-3-4-15-5-7-16(8-6-15)13-20-21-14-17-9-11-18(19)12-10-17/h5-14H,2-4H2,1H3
InChIKeyFZLUYKWRQOVIAW-UHFFFAOYSA-N
XLogP4.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.62
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

1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344
(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
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
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
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine?
The IUPAC name of 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine (CID 140983623) is 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine?
The canonical SMILES for 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine is CCCCc1ccc(C=NN=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine?
The InChIKey is FZLUYKWRQOVIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-2-3-4-15-5-7-16(8-6-15)13-20-21-14-17-9-11-18(19)12-10-17/h5-14H,2-4H2,1H3.
What are the key properties of 1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine?
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine has a molecular weight of 282.36 g/mol, XLogP of 4.62, 6 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-fluorophenyl)methylideneamino]methanimine is sourced from PubChem (CID 140983623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).