2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one

C13H15FN2O2 — CID 162765578

IUPAC2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
SMILESCCn1cc(C(=O)C(N)CO)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O2/c1-2-16-6-10(13(18)11(15)7-17)9-5-8(14)3-4-12(9)16/h3-6,11,17H,2,7,15H2,1H3
InChIKeyGWPPQDWUMZDLQG-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one

2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one (PubChem CID 162765578) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
PubChem CID162765578
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
SMILESCCn1cc(C(=O)C(N)CO)c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O2/c1-2-16-6-10(13(18)11(15)7-17)9-5-8(14)3-4-12(9)16/h3-6,11,17H,2,7,15H2,1H3
InChIKeyGWPPQDWUMZDLQG-UHFFFAOYSA-N
XLogP1.30
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-1-(1-ethyl-5-fluoroindol-3-yl)butan-1-one
CID 162765495
1-[1-(2,3-dihydroxypropyl)-5-fluoroindol-3-yl]ethanone
CID 117098722
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
5-(2,4-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654774
1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 22363310
2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
CID 115073283
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one (CID 162765578) is 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one is CCn1cc(C(=O)C(N)CO)c2cc(F)ccc21.
What is the InChIKey of 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one?
The InChIKey is GWPPQDWUMZDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-16-6-10(13(18)11(15)7-17)9-5-8(14)3-4-12(9)16/h3-6,11,17H,2,7,15H2,1H3.
What are the key properties of 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one?
2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one has a molecular weight of 250.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 162765578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).