1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one

C13H15BrN2O — CID 162765701

IUPAC1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2O/c1-3-15-8(2)13(17)11-7-16-12-5-4-9(14)6-10(11)12/h4-8,15-16H,3H2,1-2H3
InChIKeyQSRLVIIHUKJFCR-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.11
Rot. Bonds4

About 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one

1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one (PubChem CID 162765701) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
PubChem CID162765701
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2O/c1-3-15-8(2)13(17)11-7-16-12-5-4-9(14)6-10(11)12/h4-8,15-16H,3H2,1-2H3
InChIKeyQSRLVIIHUKJFCR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
CID 82985397
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 162765535
methyl 2-[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
CID 10760570
(2S)-2-[(5-bromo-1H-indole-3-carbonyl)amino]-4-methylpentanoic acid
CID 154742327
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one (CID 162765701) is 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one is CCNC(C)C(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one?
The InChIKey is QSRLVIIHUKJFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-15-8(2)13(17)11-7-16-12-5-4-9(14)6-10(11)12/h4-8,15-16H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one?
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one has a molecular weight of 295.18 g/mol, XLogP of 3.11, 4 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-(ethylamino)propan-1-one is sourced from PubChem (CID 162765701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).