N-butyl-1-(4-fluorophenyl)methanimine

C11H14FN — CID 14971157

IUPACN-butyl-1-(4-fluorophenyl)methanimine
SMILESCCCC/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,9H,2-3,8H2,1H3/b13-9+
InChIKeyDEBZRGYWACVALE-UKTHLTGXSA-N
MW179.24 g/mol
LogP3.04
Rot. Bonds4

About N-butyl-1-(4-fluorophenyl)methanimine

N-butyl-1-(4-fluorophenyl)methanimine (PubChem CID 14971157) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-butyl-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(4-fluorophenyl)methanimine
PubChem CID14971157
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-butyl-1-(4-fluorophenyl)methanimine
SMILESCCCC/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,9H,2-3,8H2,1H3/b13-9+
InChIKeyDEBZRGYWACVALE-UKTHLTGXSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-butyl-1-(4-fluorophenyl)methanimine (CID 14971157) is N-butyl-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-butyl-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-butyl-1-(4-fluorophenyl)methanimine is CCCC/N=C/c1ccc(F)cc1.
What is the InChIKey of N-butyl-1-(4-fluorophenyl)methanimine?
The InChIKey is DEBZRGYWACVALE-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,9H,2-3,8H2,1H3/b13-9+.
What are the key properties of N-butyl-1-(4-fluorophenyl)methanimine?
N-butyl-1-(4-fluorophenyl)methanimine has a molecular weight of 179.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 14971157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).