2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol

C13H19NO3 — CID 55084367

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO3/c1-16-7-5-14-12(9-15)10-2-3-13-11(8-10)4-6-17-13/h2-3,8,12,14-15H,4-7,9H2,1H3
InChIKeyXMCAEUAKLXSFCY-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol (PubChem CID 55084367) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
PubChem CID55084367
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H19NO3/c1-16-7-5-14-12(9-15)10-2-3-13-11(8-10)4-6-17-13/h2-3,8,12,14-15H,4-7,9H2,1H3
InChIKeyXMCAEUAKLXSFCY-UHFFFAOYSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
2-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethoxy]ethanol
CID 43771488
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-propoxypropyl)propan-1-amine
CID 82941487
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol (CID 55084367) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is XMCAEUAKLXSFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-7-5-14-12(9-15)10-2-3-13-11(8-10)4-6-17-13/h2-3,8,12,14-15H,4-7,9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 237.30 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 55084367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).