1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone

C15H21NO3 — CID 82102314

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
SMILESO=C(CNCCOCCO)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO3/c17-7-9-19-8-6-16-11-15(18)14-5-4-12-2-1-3-13(12)10-14/h4-5,10,16-17H,1-3,6-9,11H2
InChIKeyHUYOMJKCTDOMLB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds8

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone (PubChem CID 82102314) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
PubChem CID82102314
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
SMILESO=C(CNCCOCCO)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO3/c17-7-9-19-8-6-16-11-15(18)14-5-4-12-2-1-3-13(12)10-14/h4-5,10,16-17H,1-3,6-9,11H2
InChIKeyHUYOMJKCTDOMLB-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
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-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
1-(4-aminophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82258219
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
1-(2,3-dihydro-1H-inden-5-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82102295
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784511

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone (CID 82102314) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone is O=C(CNCCOCCO)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
The InChIKey is HUYOMJKCTDOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-7-9-19-8-6-16-11-15(18)14-5-4-12-2-1-3-13(12)10-14/h4-5,10,16-17H,1-3,6-9,11H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone is sourced from PubChem (CID 82102314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).