N-benzyl-1-(4-fluorophenyl)ethanimine

C15H14FN — CID 86149422

IUPACN-benzyl-1-(4-fluorophenyl)ethanimine
SMILESCC(=NCC1=CC=CC=C1)C2=CC=C(C=C2)F
InChIInChI=1S/C15H14FN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCFZRKBPKSHOYFR-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.50
Rot. Bonds3

About N-benzyl-1-(4-fluorophenyl)ethanimine

N-benzyl-1-(4-fluorophenyl)ethanimine (PubChem CID 86149422) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)ethanimine
PubChem CID86149422
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC NameN-benzyl-1-(4-fluorophenyl)ethanimine
SMILESCC(=NCC1=CC=CC=C1)C2=CC=C(C=C2)F
InChIInChI=1S/C15H14FN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCFZRKBPKSHOYFR-UHFFFAOYSA-N
XLogP3.50
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity248

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 576350
1-Methyl-3,4-dihydroisoquinoline
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2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Benzhydrylidene methylamine
CID 576539
3-(2-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164304
3-(3-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164305
3-(4-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164306
2,3-Diphenyl-2H-azirine
CID 140090

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)ethanimine?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)ethanimine (CID 86149422) is N-benzyl-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)ethanimine is CC(=NCC1=CC=CC=C1)C2=CC=C(C=C2)F.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)ethanimine?
The InChIKey is CFZRKBPKSHOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)ethanimine?
N-benzyl-1-(4-fluorophenyl)ethanimine has a molecular weight of 227.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 86149422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).