2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one

C14H17FN2O — CID 162765604

IUPAC2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
SMILESCCNC(C)C(=O)c1cn(C)c2ccc(F)cc12
InChIInChI=1S/C14H17FN2O/c1-4-16-9(2)14(18)12-8-17(3)13-6-5-10(15)7-11(12)13/h5-9,16H,4H2,1-3H3
InChIKeyPTVVXLXUVIQLFT-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.50
Rot. Bonds4

About 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one

2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one (PubChem CID 162765604) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
PubChem CID162765604
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
SMILESCCNC(C)C(=O)c1cn(C)c2ccc(F)cc12
InChIInChI=1S/C14H17FN2O/c1-4-16-9(2)14(18)12-8-17(3)13-6-5-10(15)7-11(12)13/h5-9,16H,4H2,1-3H3
InChIKeyPTVVXLXUVIQLFT-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
1-(1,5-dimethylindol-3-yl)-2-(methylamino)propan-1-one
CID 168925957
ethyl 2-(5-fluoro-1-methylindol-3-yl)-2-oxoacetate
CID 68526851
2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
CID 162765495
1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
1-(5-iodo-1-methylindol-3-yl)-2-(methylamino)propan-1-one
CID 162765683
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 162765499
2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
CID 146094497
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
CID 154861063

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one?
The IUPAC name of 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one (CID 162765604) is 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one is CCNC(C)C(=O)c1cn(C)c2ccc(F)cc12.
What is the InChIKey of 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one?
The InChIKey is PTVVXLXUVIQLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-16-9(2)14(18)12-8-17(3)13-6-5-10(15)7-11(12)13/h5-9,16H,4H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one?
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one has a molecular weight of 248.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 162765604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).