N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine

C13H18FN — CID 142596872

IUPACN-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine
SMILESC/C=N/c1cc(F)c(C(C)CC)cc1C
InChIInChI=1S/C13H18FN/c1-5-9(3)11-7-10(4)13(15-6-2)8-12(11)14/h6-9H,5H2,1-4H3/b15-6+
InChIKeyKXNPOWDLBPCADN-GIDUJCDVSA-N
MW207.29 g/mol
LogP4.37
Rot. Bonds3

About N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine

N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine (PubChem CID 142596872) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine
PubChem CID142596872
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine
SMILESC/C=N/c1cc(F)c(C(C)CC)cc1C
InChIInChI=1S/C13H18FN/c1-5-9(3)11-7-10(4)13(15-6-2)8-12(11)14/h6-9H,5H2,1-4H3/b15-6+
InChIKeyKXNPOWDLBPCADN-GIDUJCDVSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine?
The IUPAC name of N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine (CID 142596872) is N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine.
What is the SMILES notation for N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine?
The canonical SMILES for N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine is C/C=N/c1cc(F)c(C(C)CC)cc1C.
What is the InChIKey of N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine?
The InChIKey is KXNPOWDLBPCADN-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H18FN/c1-5-9(3)11-7-10(4)13(15-6-2)8-12(11)14/h6-9H,5H2,1-4H3/b15-6+.
What are the key properties of N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine?
N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine has a molecular weight of 207.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yl-5-fluoro-2-methylphenyl)ethanimine is sourced from PubChem (CID 142596872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).