2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone

C14H17FN2O — CID 82498702

IUPAC2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
SMILESCCNCC(=O)c1c(C)n(C)c2c(F)cccc12
InChIInChI=1S/C14H17FN2O/c1-4-16-8-12(18)13-9(2)17(3)14-10(13)6-5-7-11(14)15/h5-7,16H,4,8H2,1-3H3
InChIKeyQXLMJJJOKNHSDG-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone

2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone (PubChem CID 82498702) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
PubChem CID82498702
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
SMILESCCNCC(=O)c1c(C)n(C)c2c(F)cccc12
InChIInChI=1S/C14H17FN2O/c1-4-16-8-12(18)13-9(2)17(3)14-10(13)6-5-7-11(14)15/h5-7,16H,4,8H2,1-3H3
InChIKeyQXLMJJJOKNHSDG-UHFFFAOYSA-N
XLogP2.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
1-fluoro-9-methylcarbazole
CID 139447921
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326
1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 82502316
N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82498818
7-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid
CID 84698514
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
CID 116562639
N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
CID 82494098
1,2-dimethyl-3-propylindole-7-carboxylic acid
CID 83963608

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone (CID 82498702) is 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone is CCNCC(=O)c1c(C)n(C)c2c(F)cccc12.
What is the InChIKey of 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is QXLMJJJOKNHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-16-8-12(18)13-9(2)17(3)14-10(13)6-5-7-11(14)15/h5-7,16H,4,8H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone?
2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 248.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 82498702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).