7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol

C12H15FN2O — CID 91033330

IUPAC7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol
SMILESCC(C)(F)Cn1cc2cccc(N)c2c1O
InChIInChI=1S/C12H15FN2O/c1-12(2,13)7-15-6-8-4-3-5-9(14)10(8)11(15)16/h3-6,16H,7,14H2,1-2H3
InChIKeyMNUSIDYRLWEQDT-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.68
Rot. Bonds2

About 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol

7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol (PubChem CID 91033330) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol
PubChem CID91033330
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol
SMILESCC(C)(F)Cn1cc2cccc(N)c2c1O
InChIInChI=1S/C12H15FN2O/c1-12(2,13)7-15-6-8-4-3-5-9(14)10(8)11(15)16/h3-6,16H,7,14H2,1-2H3
InChIKeyMNUSIDYRLWEQDT-UHFFFAOYSA-N
XLogP2.68
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.68
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
1-[(3-Fluoro-4-pyridinyl)amino]-3-methylindol-2-ol
CID 57307660
3-(2-Aminoethyl)-5-fluoro-1-methylindol-4-ol
CID 84076778
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
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
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-fluoro-2-methylpropyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol (CID 91033330) is 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol is CC(C)(F)Cn1cc2cccc(N)c2c1O.
What is the InChIKey of 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol?
The InChIKey is MNUSIDYRLWEQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(2,13)7-15-6-8-4-3-5-9(14)10(8)11(15)16/h3-6,16H,7,14H2,1-2H3.
What are the key properties of 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol?
7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol has a molecular weight of 222.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol is sourced from PubChem (CID 91033330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).