2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol

C11H15NO2 — CID 79226581

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
SMILESOCCNCC1COc2ccccc21
InChIInChI=1S/C11H15NO2/c13-6-5-12-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9,12-13H,5-8H2
InChIKeyRZRFVBWIAAWSTP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.74
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol

2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol (PubChem CID 79226581) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
PubChem CID79226581
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
SMILESOCCNCC1COc2ccccc21
InChIInChI=1S/C11H15NO2/c13-6-5-12-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9,12-13H,5-8H2
InChIKeyRZRFVBWIAAWSTP-UHFFFAOYSA-N
XLogP0.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.74
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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Related Compounds

N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147124
[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
CID 79227078

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol (CID 79226581) is 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol is OCCNCC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol?
The InChIKey is RZRFVBWIAAWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-6-5-12-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9,12-13H,5-8H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol?
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol has a molecular weight of 193.25 g/mol, XLogP of 0.74, 4 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-benzofuran-3-ylmethylamino)ethanol is sourced from PubChem (CID 79226581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).