N-[1-(4-fluorophenyl)but-3-enyl]aniline

C16H16FN — CID 11694404

IUPACN-[1-(4-fluorophenyl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-2-6-16(13-9-11-14(17)12-10-13)18-15-7-4-3-5-8-15/h2-5,7-12,16,18H,1,6H2
InChIKeyGPPHJZCFKPULER-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.55
Rot. Bonds5

About N-[1-(4-fluorophenyl)but-3-enyl]aniline

N-[1-(4-fluorophenyl)but-3-enyl]aniline (PubChem CID 11694404) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)but-3-enyl]aniline.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)but-3-enyl]aniline
PubChem CID11694404
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-[1-(4-fluorophenyl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-2-6-16(13-9-11-14(17)12-10-13)18-15-7-4-3-5-8-15/h2-5,7-12,16,18H,1,6H2
InChIKeyGPPHJZCFKPULER-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Desipramine
CID 2995
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
Desipramine Hydrochloride
CID 65327
Dibenz(b,f)azepine
CID 9212
N-ethyl-3-methylaniline
CID 7603
N-Ethyl-N-benzylaniline
CID 7098
4,4'-Dioctyldiphenylamine
CID 7569
N-(3-Methylphenyl)aniline
CID 14569
N,N'-Di-o-tolylethylenediamine
CID 66759
N-Phenyl-p-toluidine
CID 12109
Benzylaniline
CID 66028
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)but-3-enyl]aniline?
The IUPAC name of N-[1-(4-fluorophenyl)but-3-enyl]aniline (CID 11694404) is N-[1-(4-fluorophenyl)but-3-enyl]aniline.
What is the SMILES notation for N-[1-(4-fluorophenyl)but-3-enyl]aniline?
The canonical SMILES for N-[1-(4-fluorophenyl)but-3-enyl]aniline is C=CCC(Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)but-3-enyl]aniline?
The InChIKey is GPPHJZCFKPULER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-2-6-16(13-9-11-14(17)12-10-13)18-15-7-4-3-5-8-15/h2-5,7-12,16,18H,1,6H2.
What are the key properties of N-[1-(4-fluorophenyl)but-3-enyl]aniline?
N-[1-(4-fluorophenyl)but-3-enyl]aniline has a molecular weight of 241.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)but-3-enyl]aniline is sourced from PubChem (CID 11694404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).