1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

C15H19N3O — CID 61460058

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19N3O/c1-12(16-7-9-18-8-2-6-17-18)13-3-4-15-14(11-13)5-10-19-15/h2-4,6,8,11-12,16H,5,7,9-10H2,1H3
InChIKeyZOHDDRAQPUCHAF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 61460058) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID61460058
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19N3O/c1-12(16-7-9-18-8-2-6-17-18)13-3-4-15-14(11-13)5-10-19-15/h2-4,6,8,11-12,16H,5,7,9-10H2,1H3
InChIKeyZOHDDRAQPUCHAF-UHFFFAOYSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61212599
2-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethoxy]ethanol
CID 43771488
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43776500
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 104545182
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
ethyl 4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]butanoate
CID 64579498

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 61460058) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is CC(NCCn1cccn1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is ZOHDDRAQPUCHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(16-7-9-18-8-2-6-17-18)13-3-4-15-14(11-13)5-10-19-15/h2-4,6,8,11-12,16H,5,7,9-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61460058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).