2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine

C14H20N2O2 — CID 82623069

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCC(c2cccc3c2OCCO3)C1
InChIInChI=1S/C14H20N2O2/c15-5-7-16-6-4-11(10-16)12-2-1-3-13-14(12)18-9-8-17-13/h1-3,11H,4-10,15H2
InChIKeyHBEJPYOODMOVER-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds3

About 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine

2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 82623069) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
PubChem CID82623069
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCC(c2cccc3c2OCCO3)C1
InChIInChI=1S/C14H20N2O2/c15-5-7-16-6-4-11(10-16)12-2-1-3-13-14(12)18-9-8-17-13/h1-3,11H,4-10,15H2
InChIKeyHBEJPYOODMOVER-UHFFFAOYSA-N
XLogP1.21
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
CID 82625462
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
CID 82623053
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
4-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119314985
4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine
CID 152987791
3-phenyl-1-(3,7,8,9-tetrahydro-2H-pyrano[3,2-h][1,4]benzodioxin-7-ylmethyl)pyrrolidine;hydrochloride
CID 67914745
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
2-[2-(2-fluorophenyl)morpholin-4-yl]ethanamine
CID 82024344
7-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119768693
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine (CID 82623069) is 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine is NCCN1CCC(c2cccc3c2OCCO3)C1.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is HBEJPYOODMOVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-5-7-16-6-4-11(10-16)12-2-1-3-13-14(12)18-9-8-17-13/h1-3,11H,4-10,15H2.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine?
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 82623069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).