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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Related Compounds

2,3-dimethyl-[1]benzofuro[2,3-b]pyrrol-1-amine
CID 130322183
4,6-dimethyl-1-phenylindole;ethane
CID 156724635
3-methyldibenzofuran-1,4-diamine
CID 68822096
3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine
CID 130322189
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
1,2-dimethyl-[1]benzofuro[3,2-b]pyrrol-3-amine
CID 130322219
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
7-([1]benzofuro[2,3-b]pyrrol-3-yl)-3-[6-[3-([1]benzofuro[2,3-b]pyrrol-3-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyrrole
CID 126749691
5-(2,4,6-trimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59573379
dibenzofuran;hydrate
CID 70610865
cobalt;2,4,6-trimethylaniline
CID 159454360
dibenzofuran;hydrofluoride
CID 158307405

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).