6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine

C13H17FN2O — CID 66961806

IUPAC6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(N3CCOCC3)c(F)cc21
InChIInChI=1S/C13H17FN2O/c14-11-8-10-9(1-2-12(10)15)7-13(11)16-3-5-17-6-4-16/h7-8,12H,1-6,15H2
InChIKeyIRYANJHDYWEPEK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.61
Rot. Bonds1

About 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine

6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 66961806) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID66961806
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(N3CCOCC3)c(F)cc21
InChIInChI=1S/C13H17FN2O/c14-11-8-10-9(1-2-12(10)15)7-13(11)16-3-5-17-6-4-16/h7-8,12H,1-6,15H2
InChIKeyIRYANJHDYWEPEK-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine (CID 66961806) is 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine is NC1CCc2cc(N3CCOCC3)c(F)cc21.
What is the InChIKey of 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IRYANJHDYWEPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-8-10-9(1-2-12(10)15)7-13(11)16-3-5-17-6-4-16/h7-8,12H,1-6,15H2.
What are the key properties of 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 236.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 66961806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).