1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine

C14H20N2O — CID 116936032

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
SMILESNC(CC1CCCN1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O/c15-13(9-12-2-1-6-16-12)10-3-4-14-11(8-10)5-7-17-14/h3-4,8,12-13,16H,1-2,5-7,9,15H2
InChIKeyPGODWAAXWBZIFY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine (PubChem CID 116936032) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
PubChem CID116936032
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
SMILESNC(CC1CCCN1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O/c15-13(9-12-2-1-6-16-12)10-3-4-14-11(8-10)5-7-17-14/h3-4,8,12-13,16H,1-2,5-7,9,15H2
InChIKeyPGODWAAXWBZIFY-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
2-(2,3-dihydro-1-benzofuran-5-yloxymethyl)pyrrolidine
CID 84684744
1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
CID 116936059
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105003509
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine (CID 116936032) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine is NC(CC1CCCN1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine?
The InChIKey is PGODWAAXWBZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13(9-12-2-1-6-16-12)10-3-4-14-11(8-10)5-7-17-14/h3-4,8,12-13,16H,1-2,5-7,9,15H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116936032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).