N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine

C16H16FN — CID 177255988

IUPACN-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccccc2F)cc1
InChIInChI=1S/C16H16FN/c1-12(2)14-9-7-13(8-10-14)11-18-16-6-4-3-5-15(16)17/h3-12H,1-2H3/b18-11+
InChIKeyBSCIGAJGAIUZDS-WOJGMQOQSA-N
MW241.31 g/mol
LogP4.70
Rot. Bonds3

About N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine

N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 177255988) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine
PubChem CID177255988
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccccc2F)cc1
InChIInChI=1S/C16H16FN/c1-12(2)14-9-7-13(8-10-14)11-18-16-6-4-3-5-15(16)17/h3-12H,1-2H3/b18-11+
InChIKeyBSCIGAJGAIUZDS-WOJGMQOQSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine (CID 177255988) is N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N/c2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is BSCIGAJGAIUZDS-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16FN/c1-12(2)14-9-7-13(8-10-14)11-18-16-6-4-3-5-15(16)17/h3-12H,1-2H3/b18-11+.
What are the key properties of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine?
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 241.31 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 177255988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).