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

C12H15FN2O2 — CID 91023021

IUPAC7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol
SMILESCOCc1c2cccc(N)c2c(O)n1CCF
InChIInChI=1S/C12H15FN2O2/c1-17-7-10-8-3-2-4-9(14)11(8)12(16)15(10)6-5-13/h2-4,16H,5-7,14H2,1H3
InChIKeyMMHQUKCVLKOEHX-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.05
Rot. Bonds4

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

7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol (PubChem CID 91023021) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol
PubChem CID91023021
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol
SMILESCOCc1c2cccc(N)c2c(O)n1CCF
InChIInChI=1S/C12H15FN2O2/c1-17-7-10-8-3-2-4-9(14)11(8)12(16)15(10)6-5-13/h2-4,16H,5-7,14H2,1H3
InChIKeyMMHQUKCVLKOEHX-UHFFFAOYSA-N
XLogP2.05
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.05
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

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
7-Amino-3-[(dimethylamino)methyl]-2-(2-fluoroethyl)isoindol-1-ol
CID 90961053
7-Amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol
CID 90962723
7-Amino-2-(2,2-difluoroethyl)-3-methylisoindol-1-ol
CID 90970727
7-Amino-2-(3-fluoropropyl)isoindol-1-ol
CID 91001930
7-Amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol
CID 91033330
7-Amino-3-(ethoxymethyl)-2-(2-fluoroethyl)isoindol-1-ol
CID 91074876
7-Amino-2-(2-fluoroethyl)-3-(pyrrolidin-1-ylmethyl)isoindol-1-ol
CID 91172267
7-Amino-2-(2-fluoroethyl)-3-methylisoindol-1-ol
CID 91217804

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol (CID 91023021) is 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol is COCc1c2cccc(N)c2c(O)n1CCF.
What is the InChIKey of 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol?
The InChIKey is MMHQUKCVLKOEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-7-10-8-3-2-4-9(14)11(8)12(16)15(10)6-5-13/h2-4,16H,5-7,14H2,1H3.
What are the key properties of 7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol?
7-amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol has a molecular weight of 238.26 g/mol, XLogP of 2.05, 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-(methoxymethyl)isoindol-1-ol is sourced from PubChem (CID 91023021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).