2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol

C14H19NO2 — CID 115698014

IUPAC2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC1Cc2ccccc2O1
InChIInChI=1S/C14H19NO2/c1-2-7-15(8-9-16)11-13-10-12-5-3-4-6-14(12)17-13/h2-6,13,16H,1,7-11H2
InChIKeySTOYATSYLGIIQM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.47
Rot. Bonds6

About 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol

2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol (PubChem CID 115698014) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol
PubChem CID115698014
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CC1Cc2ccccc2O1
InChIInChI=1S/C14H19NO2/c1-2-7-15(8-9-16)11-13-10-12-5-3-4-6-14(12)17-13/h2-6,13,16H,1,7-11H2
InChIKeySTOYATSYLGIIQM-UHFFFAOYSA-N
XLogP1.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide
CID 146108503
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
CID 70406652
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 79279793
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(2-methylpropyl)amino]propanethioamide
CID 66365908
2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol
CID 67895461
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(ethyl)amino]acetonitrile
CID 66363771
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
2-[2,3-dihydro-1-benzofuran-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79256895

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol (CID 115698014) is 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CC1Cc2ccccc2O1.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol?
The InChIKey is STOYATSYLGIIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-7-15(8-9-16)11-13-10-12-5-3-4-6-14(12)17-13/h2-6,13,16H,1,7-11H2.
What are the key properties of 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol?
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115698014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).