2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol

C15H21NO3 — CID 82624521

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol
SMILESCC1CC(c2ccc3c(c2)OCCO3)CN1CCO
InChIInChI=1S/C15H21NO3/c1-11-8-13(10-16(11)4-5-17)12-2-3-14-15(9-12)19-7-6-18-14/h2-3,9,11,13,17H,4-8,10H2,1H3
InChIKeyNFDDEJDEDGJZCB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds3

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol (PubChem CID 82624521) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol
PubChem CID82624521
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol
SMILESCC1CC(c2ccc3c(c2)OCCO3)CN1CCO
InChIInChI=1S/C15H21NO3/c1-11-8-13(10-16(11)4-5-17)12-2-3-14-15(9-12)19-7-6-18-14/h2-3,9,11,13,17H,4-8,10H2,1H3
InChIKeyNFDDEJDEDGJZCB-UHFFFAOYSA-N
XLogP1.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol (CID 82624521) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol is CC1CC(c2ccc3c(c2)OCCO3)CN1CCO.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol?
The InChIKey is NFDDEJDEDGJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-8-13(10-16(11)4-5-17)12-2-3-14-15(9-12)19-7-6-18-14/h2-3,9,11,13,17H,4-8,10H2,1H3.
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 82624521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).