[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine

C15H16N2O — CID 82387918

IUPAC[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine
SMILESCc1cc2cc(-c3cc(CN)c(C)[nH]3)ccc2o1
InChIInChI=1S/C15H16N2O/c1-9-5-12-6-11(3-4-15(12)18-9)14-7-13(8-16)10(2)17-14/h3-7,17H,8,16H2,1-2H3
InChIKeyBSMLNGZIVAQIPX-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.50
Rot. Bonds2

About [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine

[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine (PubChem CID 82387918) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine
PubChem CID82387918
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine
SMILESCc1cc2cc(-c3cc(CN)c(C)[nH]3)ccc2o1
InChIInChI=1S/C15H16N2O/c1-9-5-12-6-11(3-4-15(12)18-9)14-7-13(8-16)10(2)17-14/h3-7,17H,8,16H2,1-2H3
InChIKeyBSMLNGZIVAQIPX-UHFFFAOYSA-N
XLogP3.50
TPSA54.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
CID 116828786
[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
CID 96630256
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
(2-methyl-1-benzofuran-5-yl)hydrazine
CID 45122640
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117360718
5-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117304019
ethane;2-methyl-1-benzofuran-5-thiol
CID 142617284
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
5-(2-methyl-1-benzofuran-5-yl)furan-3-carboxylic acid
CID 82387162
2-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]ethanamine
CID 83530624
2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
CID 117331068
5-(1-benzofuran-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82387639

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine (CID 82387918) is [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine is Cc1cc2cc(-c3cc(CN)c(C)[nH]3)ccc2o1.
What is the InChIKey of [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is BSMLNGZIVAQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-5-12-6-11(3-4-15(12)18-9)14-7-13(8-16)10(2)17-14/h3-7,17H,8,16H2,1-2H3.
What are the key properties of [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine?
[2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(2-methyl-1-benzofuran-5-yl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 82387918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).