2-butoxy-1-(2-fluorophenyl)ethanimine

C12H16FNO — CID 90253242

IUPAC2-butoxy-1-(2-fluorophenyl)ethanimine
SMILES[H]/N=C(\COCCCC)c1ccccc1F
InChIInChI=1S/C12H16FNO/c1-2-3-8-15-9-12(14)10-6-4-5-7-11(10)13/h4-7,14H,2-3,8-9H2,1H3/b14-12+
InChIKeyHEAYHLKICUWRJK-WYMLVPIESA-N
MW209.26 g/mol
LogP3.01
Rot. Bonds6

About 2-butoxy-1-(2-fluorophenyl)ethanimine

2-butoxy-1-(2-fluorophenyl)ethanimine (PubChem CID 90253242) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-butoxy-1-(2-fluorophenyl)ethanimine.

Molecular Properties

Compound Name2-butoxy-1-(2-fluorophenyl)ethanimine
PubChem CID90253242
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-butoxy-1-(2-fluorophenyl)ethanimine
SMILES[H]/N=C(\COCCCC)c1ccccc1F
InChIInChI=1S/C12H16FNO/c1-2-3-8-15-9-12(14)10-6-4-5-7-11(10)13/h4-7,14H,2-3,8-9H2,1H3/b14-12+
InChIKeyHEAYHLKICUWRJK-WYMLVPIESA-N
XLogP3.01
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butoxy-1-(2-fluorophenyl)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 2-butoxy-1-(2-fluorophenyl)ethanimine?
The IUPAC name of 2-butoxy-1-(2-fluorophenyl)ethanimine (CID 90253242) is 2-butoxy-1-(2-fluorophenyl)ethanimine.
What is the SMILES notation for 2-butoxy-1-(2-fluorophenyl)ethanimine?
The canonical SMILES for 2-butoxy-1-(2-fluorophenyl)ethanimine is [H]/N=C(\COCCCC)c1ccccc1F.
What is the InChIKey of 2-butoxy-1-(2-fluorophenyl)ethanimine?
The InChIKey is HEAYHLKICUWRJK-WYMLVPIESA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-8-15-9-12(14)10-6-4-5-7-11(10)13/h4-7,14H,2-3,8-9H2,1H3/b14-12+.
What are the key properties of 2-butoxy-1-(2-fluorophenyl)ethanimine?
2-butoxy-1-(2-fluorophenyl)ethanimine has a molecular weight of 209.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(2-fluorophenyl)ethanimine is sourced from PubChem (CID 90253242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).