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

C12H16FN — CID 164888796

IUPACN-butyl-1-(4-fluorophenyl)ethanimine
SMILESCCCC/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8H,3-4,9H2,1-2H3/b14-10+
InChIKeyPQFYDBXNAAYDQH-GXDHUFHOSA-N
MW193.27 g/mol
LogP3.43
Rot. Bonds4

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

N-butyl-1-(4-fluorophenyl)ethanimine (PubChem CID 164888796) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-butyl-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-butyl-1-(4-fluorophenyl)ethanimine
PubChem CID164888796
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-butyl-1-(4-fluorophenyl)ethanimine
SMILESCCCC/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8H,3-4,9H2,1-2H3/b14-10+
InChIKeyPQFYDBXNAAYDQH-GXDHUFHOSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.43
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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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
4'-Fluoroacetophenone oxime
CID 5382861
1-Methyl-3,4-dihydroisoquinoline
CID 231502
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
N-Benzylidenepropylamine
CID 250250
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Benzhydrylidene methylamine
CID 576539

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-fluorophenyl)ethanimine?
The IUPAC name of N-butyl-1-(4-fluorophenyl)ethanimine (CID 164888796) is N-butyl-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for N-butyl-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for N-butyl-1-(4-fluorophenyl)ethanimine is CCCC/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of N-butyl-1-(4-fluorophenyl)ethanimine?
The InChIKey is PQFYDBXNAAYDQH-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-4-9-14-10(2)11-5-7-12(13)8-6-11/h5-8H,3-4,9H2,1-2H3/b14-10+.
What are the key properties of N-butyl-1-(4-fluorophenyl)ethanimine?
N-butyl-1-(4-fluorophenyl)ethanimine has a molecular weight of 193.27 g/mol, XLogP of 3.43, 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)ethanimine is sourced from PubChem (CID 164888796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).