1-phenyl-1-thiophen-2-ylbut-3-en-1-amine

C14H15NS — CID 66811222

IUPAC1-phenyl-1-thiophen-2-ylbut-3-en-1-amine
SMILESC=CCC(N)(c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NS/c1-2-10-14(15,13-9-6-11-16-13)12-7-4-3-5-8-12/h2-9,11H,1,10,15H2
InChIKeyZIPUOBLHZVDWDQ-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.53
Rot. Bonds4

About 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine

1-phenyl-1-thiophen-2-ylbut-3-en-1-amine (PubChem CID 66811222) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name1-phenyl-1-thiophen-2-ylbut-3-en-1-amine
PubChem CID66811222
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-phenyl-1-thiophen-2-ylbut-3-en-1-amine
SMILESC=CCC(N)(c1ccccc1)c1cccs1
InChIInChI=1S/C14H15NS/c1-2-10-14(15,13-9-6-11-16-13)12-7-4-3-5-8-12/h2-9,11H,1,10,15H2
InChIKeyZIPUOBLHZVDWDQ-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine?
The IUPAC name of 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine (CID 66811222) is 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine.
What is the SMILES notation for 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine?
The canonical SMILES for 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine is C=CCC(N)(c1ccccc1)c1cccs1.
What is the InChIKey of 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine?
The InChIKey is ZIPUOBLHZVDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-10-14(15,13-9-6-11-16-13)12-7-4-3-5-8-12/h2-9,11H,1,10,15H2.
What are the key properties of 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine?
1-phenyl-1-thiophen-2-ylbut-3-en-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-thiophen-2-ylbut-3-en-1-amine is sourced from PubChem (CID 66811222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).