1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine

C15H20FN — CID 123777497

IUPAC1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine
SMILESC/N=C(\C=C(C)C(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C15H20FN/c1-10(2)11(3)9-15(17-5)13-6-7-14(16)12(4)8-13/h6-10H,1-5H3/b11-9?,17-15+
InChIKeyFZUNWPBBWUIGMA-APCHXHIRSA-N
MW233.33 g/mol
LogP4.16
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine

1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine (PubChem CID 123777497) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine
PubChem CID123777497
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine
SMILESC/N=C(\C=C(C)C(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C15H20FN/c1-10(2)11(3)9-15(17-5)13-6-7-14(16)12(4)8-13/h6-10H,1-5H3/b11-9?,17-15+
InChIKeyFZUNWPBBWUIGMA-APCHXHIRSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11593845
(NE)-N-[3-butyl-2-(4-fluorophenyl)cyclopent-2-en-1-ylidene]hydroxylamine
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(NZ)-N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
CID 44135991
Negative control for A-079
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine (CID 123777497) is 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine is C/N=C(\C=C(C)C(C)C)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine?
The InChIKey is FZUNWPBBWUIGMA-APCHXHIRSA-N. The full InChI is InChI=1S/C15H20FN/c1-10(2)11(3)9-15(17-5)13-6-7-14(16)12(4)8-13/h6-10H,1-5H3/b11-9?,17-15+.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine?
1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine has a molecular weight of 233.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N,3,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 123777497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).