[3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium

C15H15FN+ — CID 138652346

IUPAC[3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium
SMILESC=[N+](C)c1ccc(C)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN/c1-11-4-9-14(17(2)3)10-15(11)12-5-7-13(16)8-6-12/h4-10H,2H2,1,3H3/q+1
InChIKeyKAHMGFLMDCKTIY-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.78
Rot. Bonds2

About [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium

[3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium (PubChem CID 138652346) has the molecular formula C15H15FN+ and a molecular weight of 228.29 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium
PubChem CID138652346
Molecular FormulaC15H15FN+
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name[3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium
SMILESC=[N+](C)c1ccc(C)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN/c1-11-4-9-14(17(2)3)10-15(11)12-5-7-13(16)8-6-12/h4-10H,2H2,1,3H3/q+1
InChIKeyKAHMGFLMDCKTIY-UHFFFAOYSA-N
XLogP3.78
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium?
The IUPAC name of [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium (CID 138652346) is [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium.
What is the SMILES notation for [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium?
The canonical SMILES for [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium is C=[N+](C)c1ccc(C)c(-c2ccc(F)cc2)c1.
What is the InChIKey of [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium?
The InChIKey is KAHMGFLMDCKTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN/c1-11-4-9-14(17(2)3)10-15(11)12-5-7-13(16)8-6-12/h4-10H,2H2,1,3H3/q+1.
What are the key properties of [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium?
[3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium has a molecular weight of 228.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-methylphenyl]-methyl-methylideneazanium is sourced from PubChem (CID 138652346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).