4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline

C14H14BrNS — CID 89046680

IUPAC4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNS/c1-16(2)12-6-3-11(4-7-12)5-8-13-9-10-14(15)17-13/h3-10H,1-2H3/b8-5+
InChIKeyAENHCPFJDWGTCV-VMPITWQZSA-N
MW308.24 g/mol
LogP4.75
Rot. Bonds3

About 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 89046680) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID89046680
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNS/c1-16(2)12-6-3-11(4-7-12)5-8-13-9-10-14(15)17-13/h3-10H,1-2H3/b8-5+
InChIKeyAENHCPFJDWGTCV-VMPITWQZSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline (CID 89046680) is 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is AENHCPFJDWGTCV-VMPITWQZSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-16(2)12-6-3-11(4-7-12)5-8-13-9-10-14(15)17-13/h3-10H,1-2H3/b8-5+.
What are the key properties of 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 308.24 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 89046680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).