2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine

C14H14N2O — CID 116834499

IUPAC2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cc[nH]c1)c1coc2ccccc12
InChIInChI=1S/C14H14N2O/c15-7-12(10-5-6-16-8-10)13-9-17-14-4-2-1-3-11(13)14/h1-6,8-9,12,16H,7,15H2
InChIKeyCHTIPGRLTZTRHZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.85
Rot. Bonds3

About 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine

2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 116834499) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID116834499
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cc[nH]c1)c1coc2ccccc12
InChIInChI=1S/C14H14N2O/c15-7-12(10-5-6-16-8-10)13-9-17-14-4-2-1-3-11(13)14/h1-6,8-9,12,16H,7,15H2
InChIKeyCHTIPGRLTZTRHZ-UHFFFAOYSA-N
XLogP2.85
TPSA54.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82286441
3-benzhydryl-1-benzofuran
CID 53493031
2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834468
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine
CID 82281094
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
2-(aminomethyl)-1-(1-benzofuran-3-yl)-3-methylbutan-1-ol
CID 65185900
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82293455
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine (CID 116834499) is 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine is NCC(c1cc[nH]c1)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is CHTIPGRLTZTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-7-12(10-5-6-16-8-10)13-9-17-14-4-2-1-3-11(13)14/h1-6,8-9,12,16H,7,15H2.
What are the key properties of 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine?
2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 226.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 116834499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).