1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine

C16H20N2O2 — CID 66394022

IUPAC1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNC(CN1CC2CCC(C1)O2)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O2/c17-14(10-18-8-12-5-6-13(9-18)19-12)16-7-11-3-1-2-4-15(11)20-16/h1-4,7,12-14H,5-6,8-10,17H2
InChIKeyUZKYXMMXYAWDNU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine

1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 66394022) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID66394022
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNC(CN1CC2CCC(C1)O2)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O2/c17-14(10-18-8-12-5-6-13(9-18)19-12)16-7-11-3-1-2-4-15(11)20-16/h1-4,7,12-14H,5-6,8-10,17H2
InChIKeyUZKYXMMXYAWDNU-UHFFFAOYSA-N
XLogP2.30
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
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2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391481
1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
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CID 63090070
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
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2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
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1-(1-benzofuran-2-yl)hex-4-yn-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 66394022) is 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is NC(CN1CC2CCC(C1)O2)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is UZKYXMMXYAWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-14(10-18-8-12-5-6-13(9-18)19-12)16-7-11-3-1-2-4-15(11)20-16/h1-4,7,12-14H,5-6,8-10,17H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 66394022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).