1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine

C14H17NO2 — CID 63090070

IUPAC1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c15-12(9-11-5-3-7-16-11)14-8-10-4-1-2-6-13(10)17-14/h1-2,4,6,8,11-12H,3,5,7,9,15H2
InChIKeyQJKIKKGOUQSLHQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.00
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine

1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63090070) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID63090070
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c15-12(9-11-5-3-7-16-11)14-8-10-4-1-2-6-13(10)17-14/h1-2,4,6,8,11-12H,3,5,7,9,15H2
InChIKeyQJKIKKGOUQSLHQ-UHFFFAOYSA-N
XLogP3.00
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198804
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
[1-(1-benzofuran-2-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105337722
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
CID 114726295
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66394022
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495123
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
CID 65158245
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine (CID 63090070) is 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine is NC(CC1CCCO1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is QJKIKKGOUQSLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c15-12(9-11-5-3-7-16-11)14-8-10-4-1-2-6-13(10)17-14/h1-2,4,6,8,11-12H,3,5,7,9,15H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine?
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 3.00, 3 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)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63090070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).