2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one

C16H21FN2O — CID 162765495

IUPAC2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
SMILESCCNC(CC)C(=O)c1cn(CC)c2ccc(F)cc12
InChIInChI=1S/C16H21FN2O/c1-4-14(18-5-2)16(20)13-10-19(6-3)15-8-7-11(17)9-12(13)15/h7-10,14,18H,4-6H2,1-3H3
InChIKeyPRLPIRQHWDLYKK-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.37
Rot. Bonds6

About 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one

2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one (PubChem CID 162765495) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
PubChem CID162765495
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
SMILESCCNC(CC)C(=O)c1cn(CC)c2ccc(F)cc12
InChIInChI=1S/C16H21FN2O/c1-4-14(18-5-2)16(20)13-10-19(6-3)15-8-7-11(17)9-12(13)15/h7-10,14,18H,4-6H2,1-3H3
InChIKeyPRLPIRQHWDLYKK-UHFFFAOYSA-N
XLogP3.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
CID 162765578
1-(1,5-dimethylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765617
1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
1-(1-ethyl-5,6-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 170210991
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
5-(2,4-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654774
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 162765499
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-[1-(2,3-dihydroxypropyl)-5-fluoroindol-3-yl]ethanone
CID 117098722

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one?
The IUPAC name of 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one (CID 162765495) is 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one is CCNC(CC)C(=O)c1cn(CC)c2ccc(F)cc12.
What is the InChIKey of 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one?
The InChIKey is PRLPIRQHWDLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-14(18-5-2)16(20)13-10-19(6-3)15-8-7-11(17)9-12(13)15/h7-10,14,18H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one?
2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one has a molecular weight of 276.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one is sourced from PubChem (CID 162765495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).