4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline

C16H14BrNO — CID 20625554

IUPAC4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C16H14BrNO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3
InChIKeyKDEAIQIMZNSYPJ-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.93
Rot. Bonds2

About 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline

4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline (PubChem CID 20625554) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline
PubChem CID20625554
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C16H14BrNO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3
InChIKeyKDEAIQIMZNSYPJ-UHFFFAOYSA-N
XLogP4.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline (CID 20625554) is 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cc3cc(Br)ccc3o2)cc1.
What is the InChIKey of 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline?
The InChIKey is KDEAIQIMZNSYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-18(2)14-6-3-11(4-7-14)16-10-12-9-13(17)5-8-15(12)19-16/h3-10H,1-2H3.
What are the key properties of 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline?
4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline has a molecular weight of 316.20 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 20625554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).