1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine

C11H14FN — CID 83069908

IUPAC1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC(N)C1CCc2c(F)cccc21
InChIInChI=1S/C11H14FN/c1-7(13)8-5-6-10-9(8)3-2-4-11(10)12/h2-4,7-8H,5-6,13H2,1H3
InChIKeyBJOZKURWARRGPW-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 83069908) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID83069908
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESCC(N)C1CCc2c(F)cccc21
InChIInChI=1S/C11H14FN/c1-7(13)8-5-6-10-9(8)3-2-4-11(10)12/h2-4,7-8H,5-6,13H2,1H3
InChIKeyBJOZKURWARRGPW-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine (CID 83069908) is 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine is CC(N)C1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is BJOZKURWARRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(13)8-5-6-10-9(8)3-2-4-11(10)12/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine?
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 179.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 83069908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).