1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane

C15H23BrN2O — CID 162765516

IUPAC1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
SMILESCC.CC.CNCC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O.2C2H6/c1-13-6-11(15)9-5-14-10-3-2-7(12)4-8(9)10;2*1-2/h2-5,13-14H,6H2,1H3;2*1-2H3
InChIKeyUQFJWZYFMPFYIM-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.38
Rot. Bonds3

About 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane

1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane (PubChem CID 162765516) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
PubChem CID162765516
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
SMILESCC.CC.CNCC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O.2C2H6/c1-13-6-11(15)9-5-14-10-3-2-7(12)4-8(9)10;2*1-2/h2-5,13-14H,6H2,1H3;2*1-2H3
InChIKeyUQFJWZYFMPFYIM-UHFFFAOYSA-N
XLogP4.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-(5-bromo-1H-indol-3-yl)-5-oxopentanoic acid
CID 43329853
1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43340401
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 96610998
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
CID 82985397

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane (CID 162765516) is 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane is CC.CC.CNCC(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane?
The InChIKey is UQFJWZYFMPFYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O.2C2H6/c1-13-6-11(15)9-5-14-10-3-2-7(12)4-8(9)10;2*1-2/h2-5,13-14H,6H2,1H3;2*1-2H3.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane?
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane has a molecular weight of 327.27 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane is sourced from PubChem (CID 162765516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).