7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol

C15H20FN3O — CID 91172267

IUPAC7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol
SMILESNc1cccc2c(CN3CCCC3)n(CCF)c(O)c12
InChIInChI=1S/C15H20FN3O/c16-6-9-19-13(10-18-7-1-2-8-18)11-4-3-5-12(17)14(11)15(19)20/h3-5,20H,1-2,6-10,17H2
InChIKeyJELAYIWCBQABFB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.49
Rot. Bonds4

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

7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol (PubChem CID 91172267) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol
PubChem CID91172267
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol
SMILESNc1cccc2c(CN3CCCC3)n(CCF)c(O)c12
InChIInChI=1S/C15H20FN3O/c16-6-9-19-13(10-18-7-1-2-8-18)11-4-3-5-12(17)14(11)15(19)20/h3-5,20H,1-2,6-10,17H2
InChIKeyJELAYIWCBQABFB-UHFFFAOYSA-N
XLogP2.49
TPSA54.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydrazinylidene-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
CID 767127
1-ethyl-3-(2-piperidinylidene)-1,3-dihydro-2H-indol-2-one
CID 878566
11-Methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol
CID 159546729
1-Ethyl-3-(pyrrolidin-2-ylidene)-2-indolinone
CID 615082
3-[2-(4-fluorophenyl)ethylideneamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-diol
CID 90800243
2-[2-(2-Fluorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)isoindol-1-ol
CID 90685162
7-Fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90697577
7-Amino-2-(3,3,3-trifluoropropyl)isoindol-1-ol
CID 90718591
7-Amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol
CID 90740335
7-Amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
CID 90747922
7-Amino-2-(2-fluoroethyl)isoindol-1-ol
CID 90774678
7-Amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol
CID 90861749

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol (CID 91172267) is 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol is Nc1cccc2c(CN3CCCC3)n(CCF)c(O)c12.
What is the InChIKey of 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol?
The InChIKey is JELAYIWCBQABFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-6-9-19-13(10-18-7-1-2-8-18)11-4-3-5-12(17)14(11)15(19)20/h3-5,20H,1-2,6-10,17H2.
What are the key properties of 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol?
7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol has a molecular weight of 277.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol is sourced from PubChem (CID 91172267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).