2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine

C15H16N2O — CID 82387904

IUPAC2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine
SMILESCn1c(CCN)ccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H16N2O/c1-17-12(8-9-16)6-7-13(17)15-10-11-4-2-3-5-14(11)18-15/h2-7,10H,8-9,16H2,1H3
InChIKeyHUZYIQPPIDIUNR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.94
Rot. Bonds3

About 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine

2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine (PubChem CID 82387904) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine
PubChem CID82387904
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine
SMILESCn1c(CCN)ccc1-c1cc2ccccc2o1
InChIInChI=1S/C15H16N2O/c1-17-12(8-9-16)6-7-13(17)15-10-11-4-2-3-5-14(11)18-15/h2-7,10H,8-9,16H2,1H3
InChIKeyHUZYIQPPIDIUNR-UHFFFAOYSA-N
XLogP2.94
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118
2-[4-(1-benzofuran-2-yl)-2-pyridinyl]ethanamine
CID 82388761
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90119948
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
[2-(1-benzofuran-2-yl)-1H-imidazol-5-yl]methanamine
CID 63108798
3-(2-bromoethyl)chromen-2-one;methanamine
CID 175061055
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
5-(1-benzofuran-2-yl)-1-methyltetrazole
CID 57215043

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine (CID 82387904) is 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine is Cn1c(CCN)ccc1-c1cc2ccccc2o1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine?
The InChIKey is HUZYIQPPIDIUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-12(8-9-16)6-7-13(17)15-10-11-4-2-3-5-14(11)18-15/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine?
2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine has a molecular weight of 240.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine is sourced from PubChem (CID 82387904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).