N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine

C17H18FN — CID 91585635

IUPACN-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine
SMILESCCc1cccc(CC)c1/N=C/c1ccccc1F
InChIInChI=1S/C17H18FN/c1-3-13-9-7-10-14(4-2)17(13)19-12-15-8-5-6-11-16(15)18/h5-12H,3-4H2,1-2H3/b19-12+
InChIKeyFCBWSWLIYXFCHV-XDHOZWIPSA-N
MW255.34 g/mol
LogP4.70
Rot. Bonds4

About N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine

N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine (PubChem CID 91585635) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine
PubChem CID91585635
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine
SMILESCCc1cccc(CC)c1/N=C/c1ccccc1F
InChIInChI=1S/C17H18FN/c1-3-13-9-7-10-14(4-2)17(13)19-12-15-8-5-6-11-16(15)18/h5-12H,3-4H2,1-2H3/b19-12+
InChIKeyFCBWSWLIYXFCHV-XDHOZWIPSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
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-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine?
The IUPAC name of N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine (CID 91585635) is N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine?
The canonical SMILES for N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine is CCc1cccc(CC)c1/N=C/c1ccccc1F.
What is the InChIKey of N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine?
The InChIKey is FCBWSWLIYXFCHV-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18FN/c1-3-13-9-7-10-14(4-2)17(13)19-12-15-8-5-6-11-16(15)18/h5-12H,3-4H2,1-2H3/b19-12+.
What are the key properties of N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine?
N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine has a molecular weight of 255.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-(2-fluorophenyl)methanimine is sourced from PubChem (CID 91585635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).