3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one

C18H20N2O — CID 104502030

IUPAC3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
SMILESCC(CC(=O)N1CCc2ccccc21)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O/c1-13(14-6-8-16(19)9-7-14)12-18(21)20-11-10-15-4-2-3-5-17(15)20/h2-9,13H,10-12,19H2,1H3
InChIKeyFHHSNXXLEVKOMI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds3

About 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one

3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 104502030) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
PubChem CID104502030
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one
SMILESCC(CC(=O)N1CCc2ccccc21)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O/c1-13(14-6-8-16(19)9-7-14)12-18(21)20-11-10-15-4-2-3-5-17(15)20/h2-9,13H,10-12,19H2,1H3
InChIKeyFHHSNXXLEVKOMI-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55960141
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
CID 9439923
2-(4-amino-2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 43305239
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)butanoate
CID 60541629
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one (CID 104502030) is 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one is CC(CC(=O)N1CCc2ccccc21)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is FHHSNXXLEVKOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(14-6-8-16(19)9-7-14)12-18(21)20-11-10-15-4-2-3-5-17(15)20/h2-9,13H,10-12,19H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one?
3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 104502030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).