2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol

C13H19NO2 — CID 3021956

IUPAC2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol
SMILESCCC1Oc2ccccc2C1CNCCO
InChIInChI=1S/C13H19NO2/c1-2-12-11(9-14-7-8-15)10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKeyADOXUXFMOCCJMV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds5

About 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol

2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol (PubChem CID 3021956) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol
PubChem CID3021956
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol
SMILESCCC1Oc2ccccc2C1CNCCO
InChIInChI=1S/C13H19NO2/c1-2-12-11(9-14-7-8-15)10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKeyADOXUXFMOCCJMV-UHFFFAOYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol (CID 3021956) is 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol is CCC1Oc2ccccc2C1CNCCO.
What is the InChIKey of 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol?
The InChIKey is ADOXUXFMOCCJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-12-11(9-14-7-8-15)10-5-3-4-6-13(10)16-12/h3-6,11-12,14-15H,2,7-9H2,1H3.
What are the key properties of 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol?
2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methylamino]ethanol is sourced from PubChem (CID 3021956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).