1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one

C14H19NO2 — CID 114747839

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H19NO2/c1-3-15-9-10(2)13(16)12-6-4-5-11-7-8-17-14(11)12/h4-6,10,15H,3,7-9H2,1-2H3
InChIKeyFHTIQPWUKXENNQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.05
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one

1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one (PubChem CID 114747839) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one
PubChem CID114747839
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H19NO2/c1-3-15-9-10(2)13(16)12-6-4-5-11-7-8-17-14(11)12/h4-6,10,15H,3,7-9H2,1-2H3
InChIKeyFHTIQPWUKXENNQ-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylhexan-1-one
CID 115814156
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
CID 116565139
2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
CID 114748121
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one (CID 114747839) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one is CCNCC(C)C(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one?
The InChIKey is FHTIQPWUKXENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15-9-10(2)13(16)12-6-4-5-11-7-8-17-14(11)12/h4-6,10,15H,3,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 114747839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).