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

C12H16FN — CID 166533995

IUPAC6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)C1CCc2cc(F)c(N)cc21
InChIInChI=1S/C12H16FN/c1-7(2)9-4-3-8-5-11(13)12(14)6-10(8)9/h5-7,9H,3-4,14H2,1-2H3
InChIKeyLKCVPMWOXWNBAW-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.09
Rot. Bonds1

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

6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine (PubChem CID 166533995) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine
PubChem CID166533995
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)C1CCc2cc(F)c(N)cc21
InChIInChI=1S/C12H16FN/c1-7(2)9-4-3-8-5-11(13)12(14)6-10(8)9/h5-7,9H,3-4,14H2,1-2H3
InChIKeyLKCVPMWOXWNBAW-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine (CID 166533995) is 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine is CC(C)C1CCc2cc(F)c(N)cc21.
What is the InChIKey of 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
The InChIKey is LKCVPMWOXWNBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-7(2)9-4-3-8-5-11(13)12(14)6-10(8)9/h5-7,9H,3-4,14H2,1-2H3.
What are the key properties of 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine has a molecular weight of 193.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 166533995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).