7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol

C12H15FN2O — CID 90740335

IUPAC7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol
SMILESCCc1c2cccc(N)c2c(O)n1CCF
InChIInChI=1S/C12H15FN2O/c1-2-10-8-4-3-5-9(14)11(8)12(16)15(10)7-6-13/h3-5,16H,2,6-7,14H2,1H3
InChIKeyLIFDTSTYKRIIMZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.46
Rot. Bonds3

About 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol

7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol (PubChem CID 90740335) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol
PubChem CID90740335
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol
SMILESCCc1c2cccc(N)c2c(O)n1CCF
InChIInChI=1S/C12H15FN2O/c1-2-10-8-4-3-5-9(14)11(8)12(16)15(10)7-6-13/h3-5,16H,2,6-7,14H2,1H3
InChIKeyLIFDTSTYKRIIMZ-UHFFFAOYSA-N
XLogP2.46
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one
CID 759776
N-Ethylisatin-beta-thiosemicarbazone
CID 953967
3-hydrazinylidene-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
CID 767127
(Z)-3-(piperidin-2-ylidene)indolin-2-one
CID 664314
1-ethyl-3-(2-piperidinylidene)-1,3-dihydro-2H-indol-2-one
CID 878566
3-({[3-(dimethylamino)-2,2-dimethylpropyl]amino}methylene)-1,3-dihydro-2H-indol-2-one
CID 2859779
N-(2-hydroxy-1-methyl-1H-indol-3-yl)acetamide
CID 3237204
3-hydrazinylidene-1-propyl-2,3-dihydro-1H-indol-2-one
CID 2384264
3-(3,3-Diamino-1,2-diazaprop-2-enylidene)-1-methylbenzo[d]azolin-2-one
CID 3101791
3-(propan-2-yliminomethyl)-1H-indol-2-ol
CID 3283253
1-methyl-1H-indole-2,3-dione 3-[N-(4-fluorophenyl)hydrazone]
CID 3778584

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol?
The IUPAC name of 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol (CID 90740335) is 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol is CCc1c2cccc(N)c2c(O)n1CCF.
What is the InChIKey of 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol?
The InChIKey is LIFDTSTYKRIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-10-8-4-3-5-9(14)11(8)12(16)15(10)7-6-13/h3-5,16H,2,6-7,14H2,1H3.
What are the key properties of 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol?
7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol has a molecular weight of 222.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol is sourced from PubChem (CID 90740335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).