2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone

C18H20N2O — CID 104547315

IUPAC2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-12-10-14-6-2-4-8-16(14)18(21)20-13-11-15-7-3-5-9-17(15)20/h2-9,19H,10-13H2,1H3
InChIKeyCLPMXPZMNVQZCV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.65
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone

2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 104547315) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID104547315
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-12-10-14-6-2-4-8-16(14)18(21)20-13-11-15-7-3-5-9-17(15)20/h2-9,19H,10-13H2,1H3
InChIKeyCLPMXPZMNVQZCV-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109122223
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172543
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 104547315) is 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone is CNCCc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is CLPMXPZMNVQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-12-10-14-6-2-4-8-16(14)18(21)20-13-11-15-7-3-5-9-17(15)20/h2-9,19H,10-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone?
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 280.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 104547315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).