1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine

C17H23NO2 — CID 63823703

IUPAC1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
SMILESCC(NCCOC1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-13(18-10-11-19-15-7-3-4-8-15)17-12-14-6-2-5-9-16(14)20-17/h2,5-6,9,12-13,15,18H,3-4,7-8,10-11H2,1H3
InChIKeyWZBOAEGPCSXYPS-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.04
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine

1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine (PubChem CID 63823703) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
PubChem CID63823703
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
SMILESCC(NCCOC1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-13(18-10-11-19-15-7-3-4-8-15)17-12-14-6-2-5-9-16(14)20-17/h2,5-6,9,12-13,15,18H,3-4,7-8,10-11H2,1H3
InChIKeyWZBOAEGPCSXYPS-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 97323660
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
4-[1-(1-benzofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906093
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207338
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine (CID 63823703) is 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine is CC(NCCOC1CCCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine?
The InChIKey is WZBOAEGPCSXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(18-10-11-19-15-7-3-4-8-15)17-12-14-6-2-5-9-16(14)20-17/h2,5-6,9,12-13,15,18H,3-4,7-8,10-11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine?
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine is sourced from PubChem (CID 63823703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).