3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine

C19H18N2O — CID 130322189

IUPAC3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine
SMILESCc1cccc(C)c1-n1c(C)c(N)c2c3ccccc3oc21
InChIInChI=1S/C19H18N2O/c1-11-7-6-8-12(2)18(11)21-13(3)17(20)16-14-9-4-5-10-15(14)22-19(16)21/h4-10H,20H2,1-3H3
InChIKeyVXCOEQAPLCXGSE-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.88
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine

3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine (PubChem CID 130322189) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine
PubChem CID130322189
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine
SMILESCc1cccc(C)c1-n1c(C)c(N)c2c3ccccc3oc21
InChIInChI=1S/C19H18N2O/c1-11-7-6-8-12(2)18(11)21-13(3)17(20)16-14-9-4-5-10-15(14)22-19(16)21/h4-10H,20H2,1-3H3
InChIKeyVXCOEQAPLCXGSE-UHFFFAOYSA-N
XLogP4.88
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine (CID 130322189) is 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine is Cc1cccc(C)c1-n1c(C)c(N)c2c3ccccc3oc21.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine?
The InChIKey is VXCOEQAPLCXGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-11-7-6-8-12(2)18(11)21-13(3)17(20)16-14-9-4-5-10-15(14)22-19(16)21/h4-10H,20H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine?
3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine has a molecular weight of 290.37 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-methyl-[1]benzofuro[2,3-b]pyrrol-1-amine is sourced from PubChem (CID 130322189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).