2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine

C14H16N2O2 — CID 82294152

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESNCC(c1ccc2c(c1)OCCO2)c1ccc[nH]1
InChIInChI=1S/C14H16N2O2/c15-9-11(12-2-1-5-16-12)10-3-4-13-14(8-10)18-7-6-17-13/h1-5,8,11,16H,6-7,9,15H2
InChIKeyCTVUUWYPMNBYLY-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.88
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine (PubChem CID 82294152) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine
PubChem CID82294152
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESNCC(c1ccc2c(c1)OCCO2)c1ccc[nH]1
InChIInChI=1S/C14H16N2O2/c15-9-11(12-2-1-5-16-12)10-3-4-13-14(8-10)18-7-6-17-13/h1-5,8,11,16H,6-7,9,15H2
InChIKeyCTVUUWYPMNBYLY-UHFFFAOYSA-N
XLogP1.88
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine (CID 82294152) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine is NCC(c1ccc2c(c1)OCCO2)c1ccc[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine?
The InChIKey is CTVUUWYPMNBYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-9-11(12-2-1-5-16-12)10-3-4-13-14(8-10)18-7-6-17-13/h1-5,8,11,16H,6-7,9,15H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine has a molecular weight of 244.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 82294152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).