2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone

C16H16N2O2 — CID 61035060

IUPAC2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNc1cccc(OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c17-13-5-3-6-14(10-13)20-11-16(19)18-9-8-12-4-1-2-7-15(12)18/h1-7,10H,8-9,11,17H2
InChIKeyBGPSAOIHTUQWHC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone

2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 61035060) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID61035060
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNc1cccc(OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c17-13-5-3-6-14(10-13)20-11-16(19)18-9-8-12-4-1-2-7-15(12)18/h1-7,10H,8-9,11,17H2
InChIKeyBGPSAOIHTUQWHC-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
CID 17446546
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903078
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone
CID 110714186
N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
CID 60522591
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone (CID 61035060) is 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone is Nc1cccc(OCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BGPSAOIHTUQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-13-5-3-6-14(10-13)20-11-16(19)18-9-8-12-4-1-2-7-15(12)18/h1-7,10H,8-9,11,17H2.
What are the key properties of 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 61035060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).