1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one

C15H19BrN2O — CID 162765499

IUPAC1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1cn(CC)c2cc(Br)ccc12
InChIInChI=1S/C15H19BrN2O/c1-4-17-10(3)15(19)13-9-18(5-2)14-8-11(16)6-7-12(13)14/h6-10,17H,4-5H2,1-3H3
InChIKeyWKDHNTNGXDISMV-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.60
Rot. Bonds5

About 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one

1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one (PubChem CID 162765499) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
PubChem CID162765499
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1cn(CC)c2cc(Br)ccc12
InChIInChI=1S/C15H19BrN2O/c1-4-17-10(3)15(19)13-9-18(5-2)14-8-11(16)6-7-12(13)14/h6-10,17H,4-5H2,1-3H3
InChIKeyWKDHNTNGXDISMV-UHFFFAOYSA-N
XLogP3.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
CID 172674672
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
6-bromo-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid
CID 172674755
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
CID 166911872
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-propan-2-ylsulfanylethanone
CID 169304742
methyl 2-[6-bromo-1-(3,3,3-trifluoropropyl)indol-3-yl]-2-oxoacetate
CID 166911328
2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
CID 162765495
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one?
The IUPAC name of 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one (CID 162765499) is 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one?
The canonical SMILES for 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one is CCNC(C)C(=O)c1cn(CC)c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one?
The InChIKey is WKDHNTNGXDISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-17-10(3)15(19)13-9-18(5-2)14-8-11(16)6-7-12(13)14/h6-10,17H,4-5H2,1-3H3.
What are the key properties of 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one?
1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one has a molecular weight of 323.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one is sourced from PubChem (CID 162765499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).