N-(1-benzofuran-3-yl)-1-benzofuran-3-amine

C16H11NO2 — CID 53410322

IUPACN-(1-benzofuran-3-yl)-1-benzofuran-3-amine
SMILESc1ccc2c(Nc3coc4ccccc34)coc2c1
InChIInChI=1S/C16H11NO2/c1-3-7-15-11(5-1)13(9-18-15)17-14-10-19-16-8-4-2-6-12(14)16/h1-10,17H
InChIKeyXUHCWEZGHWIBGO-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.92
Rot. Bonds2

About N-(1-benzofuran-3-yl)-1-benzofuran-3-amine

N-(1-benzofuran-3-yl)-1-benzofuran-3-amine (PubChem CID 53410322) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(1-benzofuran-3-yl)-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-yl)-1-benzofuran-3-amine
PubChem CID53410322
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC NameN-(1-benzofuran-3-yl)-1-benzofuran-3-amine
SMILESc1ccc2c(Nc3coc4ccccc34)coc2c1
InChIInChI=1S/C16H11NO2/c1-3-7-15-11(5-1)13(9-18-15)17-14-10-19-16-8-4-2-6-12(14)16/h1-10,17H
InChIKeyXUHCWEZGHWIBGO-UHFFFAOYSA-N
XLogP4.92
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-triphenylen-2-yl-1-benzofuran-3-amine
CID 171751242
N-[(4-aminocyclohexyl)methyl]-1-benzofuran-3-amine
CID 115213357
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
(2R)-2-(1-benzofuran-3-ylamino)propanoic acid
CID 142768973
N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
CID 115208111
1-benzofuran-3-amine
CID 18373424
4-(1-benzofuran-3-ylamino)-2-methylpyrimidine-5-carboxylic acid
CID 115148740
1-benzofuran-3-ol;methane
CID 175138306
[6-(1-benzofuran-3-ylamino)pyrimidin-4-yl]-methylcyanamide
CID 115266030
tert-butyl 2-(1-benzofuran-3-ylamino)-2-oxoacetate
CID 115141648
1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 115183832
N-(1-benzofuran-3-yl)piperidine-4-carboxamide
CID 115159983

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-yl)-1-benzofuran-3-amine?
The IUPAC name of N-(1-benzofuran-3-yl)-1-benzofuran-3-amine (CID 53410322) is N-(1-benzofuran-3-yl)-1-benzofuran-3-amine.
What is the SMILES notation for N-(1-benzofuran-3-yl)-1-benzofuran-3-amine?
The canonical SMILES for N-(1-benzofuran-3-yl)-1-benzofuran-3-amine is c1ccc2c(Nc3coc4ccccc34)coc2c1.
What is the InChIKey of N-(1-benzofuran-3-yl)-1-benzofuran-3-amine?
The InChIKey is XUHCWEZGHWIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-3-7-15-11(5-1)13(9-18-15)17-14-10-19-16-8-4-2-6-12(14)16/h1-10,17H.
What are the key properties of N-(1-benzofuran-3-yl)-1-benzofuran-3-amine?
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine has a molecular weight of 249.27 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-yl)-1-benzofuran-3-amine is sourced from PubChem (CID 53410322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).