1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine

C14H22N2O3 — CID 140641199

IUPAC1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCOC2CC=CC3=C2OCCO3)C1
InChIInChI=1S/C14H22N2O3/c15-11-4-5-16(10-11)6-7-17-12-2-1-3-13-14(12)19-9-8-18-13/h1,3,11-12H,2,4-10,15H2
InChIKeyPCDYFAPMQWLCCJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.62
Rot. Bonds4

About 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine

1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine (PubChem CID 140641199) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine
PubChem CID140641199
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCOC2CC=CC3=C2OCCO3)C1
InChIInChI=1S/C14H22N2O3/c15-11-4-5-16(10-11)6-7-17-12-2-1-3-13-14(12)19-9-8-18-13/h1,3,11-12H,2,4-10,15H2
InChIKeyPCDYFAPMQWLCCJ-UHFFFAOYSA-N
XLogP0.62
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine (CID 140641199) is 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine is NC1CCN(CCOC2CC=CC3=C2OCCO3)C1.
What is the InChIKey of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine?
The InChIKey is PCDYFAPMQWLCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-11-4-5-16(10-11)6-7-17-12-2-1-3-13-14(12)19-9-8-18-13/h1,3,11-12H,2,4-10,15H2.
What are the key properties of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine?
1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine has a molecular weight of 266.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 140641199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).