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

C16H20N2O2 — CID 66391481

IUPAC2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNCC(c1cc2ccccc2o1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H20N2O2/c17-8-14(18-9-12-5-6-13(10-18)19-12)16-7-11-3-1-2-4-15(11)20-16/h1-4,7,12-14H,5-6,8-10,17H2
InChIKeyWIBNFRVBSNESCD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds3

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

2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 66391481) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID66391481
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNCC(c1cc2ccccc2o1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H20N2O2/c17-8-14(18-9-12-5-6-13(10-18)19-12)16-7-11-3-1-2-4-15(11)20-16/h1-4,7,12-14H,5-6,8-10,17H2
InChIKeyWIBNFRVBSNESCD-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 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine with MolForge

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Related Compounds

2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66394022
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 63897517
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanamine
CID 66391868
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391497
2-(1-benzofuran-2-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 63898076
2-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63898851
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 66392474
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537689
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 66391481) is 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is NCC(c1cc2ccccc2o1)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is WIBNFRVBSNESCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-8-14(18-9-12-5-6-13(10-18)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 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
2-(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 2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 66391481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).