7-amino-2-(3-fluoropropyl)isoindol-1-ol

C11H13FN2O — CID 91001930

IUPAC7-amino-2-(3-fluoropropyl)isoindol-1-ol
SMILESNc1cccc2cn(CCCF)c(O)c12
InChIInChI=1S/C11H13FN2O/c12-5-2-6-14-7-8-3-1-4-9(13)10(8)11(14)15/h1,3-4,7,15H,2,5-6,13H2
InChIKeyHWNMZDSERTZXQE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.29
Rot. Bonds3

About 7-amino-2-(3-fluoropropyl)isoindol-1-ol

7-amino-2-(3-fluoropropyl)isoindol-1-ol (PubChem CID 91001930) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-amino-2-(3-fluoropropyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(3-fluoropropyl)isoindol-1-ol
PubChem CID91001930
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name7-amino-2-(3-fluoropropyl)isoindol-1-ol
SMILESNc1cccc2cn(CCCF)c(O)c12
InChIInChI=1S/C11H13FN2O/c12-5-2-6-14-7-8-3-1-4-9(13)10(8)11(14)15/h1,3-4,7,15H,2,5-6,13H2
InChIKeyHWNMZDSERTZXQE-UHFFFAOYSA-N
XLogP2.29
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.29
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

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
3-(2-Aminoethyl)-5-fluoro-1-methylindol-4-ol
CID 84076778
3-(2-Aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol
CID 89059490
2-[2-(2-Fluorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)isoindol-1-ol
CID 90685162
7-Amino-2-(3,3,3-trifluoropropyl)isoindol-1-ol
CID 90718591
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
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
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
2-(4-Butan-2-ylphenyl)-7-[(4-fluorophenyl)methylamino]isoindol-1-ol
CID 90844715

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(3-fluoropropyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(3-fluoropropyl)isoindol-1-ol (CID 91001930) is 7-amino-2-(3-fluoropropyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(3-fluoropropyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(3-fluoropropyl)isoindol-1-ol is Nc1cccc2cn(CCCF)c(O)c12.
What is the InChIKey of 7-amino-2-(3-fluoropropyl)isoindol-1-ol?
The InChIKey is HWNMZDSERTZXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-5-2-6-14-7-8-3-1-4-9(13)10(8)11(14)15/h1,3-4,7,15H,2,5-6,13H2.
What are the key properties of 7-amino-2-(3-fluoropropyl)isoindol-1-ol?
7-amino-2-(3-fluoropropyl)isoindol-1-ol has a molecular weight of 208.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(3-fluoropropyl)isoindol-1-ol is sourced from PubChem (CID 91001930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).