2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline

C18H16N2O — CID 156855302

IUPAC2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(-n2ccc3c4ccccc4oc32)c1
InChIInChI=1S/C18H16N2O/c1-11-9-12(2)17(19)15(10-11)20-8-7-14-13-5-3-4-6-16(13)21-18(14)20/h3-10H,19H2,1-2H3
InChIKeyOQUVVNDKWVWFHB-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.58
Rot. Bonds1

About 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline

2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline (PubChem CID 156855302) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline.

Molecular Properties

Compound Name2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline
PubChem CID156855302
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(-n2ccc3c4ccccc4oc32)c1
InChIInChI=1S/C18H16N2O/c1-11-9-12(2)17(19)15(10-11)20-8-7-14-13-5-3-4-6-16(13)21-18(14)20/h3-10H,19H2,1-2H3
InChIKeyOQUVVNDKWVWFHB-UHFFFAOYSA-N
XLogP4.58
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline?
The IUPAC name of 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline (CID 156855302) is 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline.
What is the SMILES notation for 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline?
The canonical SMILES for 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline is Cc1cc(C)c(N)c(-n2ccc3c4ccccc4oc32)c1.
What is the InChIKey of 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline?
The InChIKey is OQUVVNDKWVWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-11-9-12(2)17(19)15(10-11)20-8-7-14-13-5-3-4-6-16(13)21-18(14)20/h3-10H,19H2,1-2H3.
What are the key properties of 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline?
2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline has a molecular weight of 276.34 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[2,3-b]pyrrol-3-yl)-4,6-dimethylaniline is sourced from PubChem (CID 156855302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).