3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

C12H16FN — CID 63821741

IUPAC3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CC(NC)c2cc(F)ccc21
InChIInChI=1S/C12H16FN/c1-3-8-6-12(14-2)11-7-9(13)4-5-10(8)11/h4-5,7-8,12,14H,3,6H2,1-2H3
InChIKeyJEVPBAUBIILCJF-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.98
Rot. Bonds2

About 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63821741) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63821741
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCC1CC(NC)c2cc(F)ccc21
InChIInChI=1S/C12H16FN/c1-3-8-6-12(14-2)11-7-9(13)4-5-10(8)11/h4-5,7-8,12,14H,3,6H2,1-2H3
InChIKeyJEVPBAUBIILCJF-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 63821741) is 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is CCC1CC(NC)c2cc(F)ccc21.
What is the InChIKey of 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JEVPBAUBIILCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-8-6-12(14-2)11-7-9(13)4-5-10(8)11/h4-5,7-8,12,14H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63821741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).