(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine

C18H19FN2O2 — CID 135124159

IUPAC(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(-c3ccc(OC4CCOC4)nc3)ccc(F)c21
InChIInChI=1S/C18H19FN2O2/c19-15-4-2-13(14-3-5-16(20)18(14)15)11-1-6-17(21-9-11)23-12-7-8-22-10-12/h1-2,4,6,9,12,16H,3,5,7-8,10,20H2/t12?,16-/m1/s1
InChIKeyYIVUTBMBNHNRLM-PVQCJRHBSA-N
MW314.36 g/mol
LogP3.00
Rot. Bonds3

About (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine

(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 135124159) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID135124159
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(-c3ccc(OC4CCOC4)nc3)ccc(F)c21
InChIInChI=1S/C18H19FN2O2/c19-15-4-2-13(14-3-5-16(20)18(14)15)11-1-6-17(21-9-11)23-12-7-8-22-10-12/h1-2,4,6,9,12,16H,3,5,7-8,10,20H2/t12?,16-/m1/s1
InChIKeyYIVUTBMBNHNRLM-PVQCJRHBSA-N
XLogP3.00
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine (CID 135124159) is (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2c(-c3ccc(OC4CCOC4)nc3)ccc(F)c21.
What is the InChIKey of (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YIVUTBMBNHNRLM-PVQCJRHBSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-4-2-13(14-3-5-16(20)18(14)15)11-1-6-17(21-9-11)23-12-7-8-22-10-12/h1-2,4,6,9,12,16H,3,5,7-8,10,20H2/t12?,16-/m1/s1.
What are the key properties of (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine?
(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 314.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-fluoro-4-[6-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 135124159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).