4-(5-bromothiophen-2-yl)-N,N-dimethylaniline

C12H12BrNS — CID 171975347

IUPAC4-(5-bromothiophen-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C12H12BrNS/c1-14(2)10-5-3-9(4-6-10)11-7-8-12(13)15-11/h3-8H,1-2H3
InChIKeyIGCVLELJOYNUQZ-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.24
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline

4-(5-bromothiophen-2-yl)-N,N-dimethylaniline (PubChem CID 171975347) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N,N-dimethylaniline
PubChem CID171975347
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name4-(5-bromothiophen-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C12H12BrNS/c1-14(2)10-5-3-9(4-6-10)11-7-8-12(13)15-11/h3-8H,1-2H3
InChIKeyIGCVLELJOYNUQZ-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline (CID 171975347) is 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline?
The InChIKey is IGCVLELJOYNUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-14(2)10-5-3-9(4-6-10)11-7-8-12(13)15-11/h3-8H,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline?
4-(5-bromothiophen-2-yl)-N,N-dimethylaniline has a molecular weight of 282.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 171975347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).