7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol

C13H17FN2O — CID 91575691

IUPAC7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol
SMILESCCCc1c2cccc(N)c2c(O)n1CCF
InChIInChI=1S/C13H17FN2O/c1-2-4-11-9-5-3-6-10(15)12(9)13(17)16(11)8-7-14/h3,5-6,17H,2,4,7-8,15H2,1H3
InChIKeyUWQPAWDEZWWFJF-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.85
Rot. Bonds4

About 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol

7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol (PubChem CID 91575691) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol
PubChem CID91575691
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol
SMILESCCCc1c2cccc(N)c2c(O)n1CCF
InChIInChI=1S/C13H17FN2O/c1-2-4-11-9-5-3-6-10(15)12(9)13(17)16(11)8-7-14/h3,5-6,17H,2,4,7-8,15H2,1H3
InChIKeyUWQPAWDEZWWFJF-UHFFFAOYSA-N
XLogP2.85
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.85
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
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
3-hydrazinylidene-1-propyl-2,3-dihydro-1H-indol-2-one
CID 2384264
3-(propan-2-yliminomethyl)-1H-indol-2-ol
CID 3283253
(Z)-3-(pyrrolidin-2-ylidene)indolin-2-one
CID 750071
1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
CID 135903014
3-[(Methylamino)methylidene]-1,3-dihydro-2H-indol-2-one
CID 135959419
3-(3H-indol-2-yl)-1-methylindol-2-ol
CID 136066022

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol?
The IUPAC name of 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol (CID 91575691) is 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol?
The canonical SMILES for 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol is CCCc1c2cccc(N)c2c(O)n1CCF.
What is the InChIKey of 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol?
The InChIKey is UWQPAWDEZWWFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-4-11-9-5-3-6-10(15)12(9)13(17)16(11)8-7-14/h3,5-6,17H,2,4,7-8,15H2,1H3.
What are the key properties of 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol?
7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol has a molecular weight of 236.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-fluoroethyl)-3-propylisoindol-1-ol is sourced from PubChem (CID 91575691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).