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2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

C17H23FN2 — CID 116531521

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESNC1CCCC2CN(C3CCc4cc(F)ccc43)CC12
InChIInChI=1S/C17H23FN2/c18-13-5-6-14-11(8-13)4-7-17(14)20-9-12-2-1-3-16(19)15(12)10-20/h5-6,8,12,15-17H,1-4,7,9-10,19H2
InChIKeyVMSQZNLNDXIODO-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.87
Rot. Bonds1

About 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (PubChem CID 116531521) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
PubChem CID116531521
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESNC1CCCC2CN(C3CCc4cc(F)ccc43)CC12
InChIInChI=1S/C17H23FN2/c18-13-5-6-14-11(8-13)4-7-17(14)20-9-12-2-1-3-16(19)15(12)10-20/h5-6,8,12,15-17H,1-4,7,9-10,19H2
InChIKeyVMSQZNLNDXIODO-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (CID 116531521) is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is NC1CCCC2CN(C3CCc4cc(F)ccc43)CC12.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The InChIKey is VMSQZNLNDXIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c18-13-5-6-14-11(8-13)4-7-17(14)20-9-12-2-1-3-16(19)15(12)10-20/h5-6,8,12,15-17H,1-4,7,9-10,19H2.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine has a molecular weight of 274.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is sourced from PubChem (CID 116531521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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