1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone

C13H15BrN2O — CID 82502316

IUPAC1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1c(C)[nH]c2c(Br)cccc12
InChIInChI=1S/C13H15BrN2O/c1-3-15-7-11(17)12-8(2)16-13-9(12)5-4-6-10(13)14/h4-6,15-16H,3,7H2,1-2H3
InChIKeyUWZXPCYDNAJZQL-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.03
Rot. Bonds4

About 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone

1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone (PubChem CID 82502316) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
PubChem CID82502316
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1c(C)[nH]c2c(Br)cccc12
InChIInChI=1S/C13H15BrN2O/c1-3-15-7-11(17)12-8(2)16-13-9(12)5-4-6-10(13)14/h4-6,15-16H,3,7H2,1-2H3
InChIKeyUWZXPCYDNAJZQL-UHFFFAOYSA-N
XLogP3.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
4-(7-bromo-2-methyl-1H-indol-3-yl)butan-2-one
CID 82502192
1-(5-tert-butyl-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 96679637
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
CID 82498702
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
CID 110835945
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 82501777
8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642958
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone (CID 82502316) is 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone is CCNCC(=O)c1c(C)[nH]c2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
The InChIKey is UWZXPCYDNAJZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-15-7-11(17)12-8(2)16-13-9(12)5-4-6-10(13)14/h4-6,15-16H,3,7H2,1-2H3.
What are the key properties of 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone has a molecular weight of 295.18 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 82502316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).