N-(3-ethyl-4-fluorophenyl)ethanimine

C10H12FN — CID 137466805

IUPACN-(3-ethyl-4-fluorophenyl)ethanimine
SMILESC/C=N/c1ccc(F)c(CC)c1
InChIInChI=1S/C10H12FN/c1-3-8-7-9(12-4-2)5-6-10(8)11/h4-7H,3H2,1-2H3/b12-4+
InChIKeyLPPHDZAMRCDULA-UUILKARUSA-N
MW165.21 g/mol
LogP3.11
Rot. Bonds2

About N-(3-ethyl-4-fluorophenyl)ethanimine

N-(3-ethyl-4-fluorophenyl)ethanimine (PubChem CID 137466805) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is N-(3-ethyl-4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-(3-ethyl-4-fluorophenyl)ethanimine
PubChem CID137466805
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC NameN-(3-ethyl-4-fluorophenyl)ethanimine
SMILESC/C=N/c1ccc(F)c(CC)c1
InChIInChI=1S/C10H12FN/c1-3-8-7-9(12-4-2)5-6-10(8)11/h4-7H,3H2,1-2H3/b12-4+
InChIKeyLPPHDZAMRCDULA-UUILKARUSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 53.11
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-(3-ethyl-4-fluorophenyl)ethanimine?
The IUPAC name of N-(3-ethyl-4-fluorophenyl)ethanimine (CID 137466805) is N-(3-ethyl-4-fluorophenyl)ethanimine.
What is the SMILES notation for N-(3-ethyl-4-fluorophenyl)ethanimine?
The canonical SMILES for N-(3-ethyl-4-fluorophenyl)ethanimine is C/C=N/c1ccc(F)c(CC)c1.
What is the InChIKey of N-(3-ethyl-4-fluorophenyl)ethanimine?
The InChIKey is LPPHDZAMRCDULA-UUILKARUSA-N. The full InChI is InChI=1S/C10H12FN/c1-3-8-7-9(12-4-2)5-6-10(8)11/h4-7H,3H2,1-2H3/b12-4+.
What are the key properties of N-(3-ethyl-4-fluorophenyl)ethanimine?
N-(3-ethyl-4-fluorophenyl)ethanimine has a molecular weight of 165.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-fluorophenyl)ethanimine is sourced from PubChem (CID 137466805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).