3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine

C17H20FNS — CID 57220065

IUPAC3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCNCC(CC1CCc2cc(F)ccc21)c1cccs1
InChIInChI=1S/C17H20FNS/c1-19-11-14(17-3-2-8-20-17)9-12-4-5-13-10-15(18)6-7-16(12)13/h2-3,6-8,10,12,14,19H,4-5,9,11H2,1H3
InChIKeyYATLNQYSRFZGQB-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.31
Rot. Bonds5

About 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine

3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 57220065) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID57220065
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCNCC(CC1CCc2cc(F)ccc21)c1cccs1
InChIInChI=1S/C17H20FNS/c1-19-11-14(17-3-2-8-20-17)9-12-4-5-13-10-15(18)6-7-16(12)13/h2-3,6-8,10,12,14,19H,4-5,9,11H2,1H3
InChIKeyYATLNQYSRFZGQB-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine (CID 57220065) is 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine is CNCC(CC1CCc2cc(F)ccc21)c1cccs1.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is YATLNQYSRFZGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-19-11-14(17-3-2-8-20-17)9-12-4-5-13-10-15(18)6-7-16(12)13/h2-3,6-8,10,12,14,19H,4-5,9,11H2,1H3.
What are the key properties of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine?
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 57220065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).