2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine

C14H16FNS — CID 79442182

IUPAC2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
SMILESNCC(CCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c15-14-5-3-12(4-6-14)13(9-16)2-1-11-7-8-17-10-11/h3-8,10,13H,1-2,9,16H2
InChIKeyLMDPGWLIKNECLI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine

2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine (PubChem CID 79442182) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
PubChem CID79442182
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
SMILESNCC(CCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c15-14-5-3-12(4-6-14)13(9-16)2-1-11-7-8-17-10-11/h3-8,10,13H,1-2,9,16H2
InChIKeyLMDPGWLIKNECLI-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79431603
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
CID 79417369
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139185
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine (CID 79442182) is 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine is NCC(CCc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
The InChIKey is LMDPGWLIKNECLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c15-14-5-3-12(4-6-14)13(9-16)2-1-11-7-8-17-10-11/h3-8,10,13H,1-2,9,16H2.
What are the key properties of 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 79442182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).