5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H22FNO — CID 103779432

IUPAC5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(F)ccc21)C1CCOCC1
InChIInChI=1S/C16H22FNO/c1-11(12-6-8-19-9-7-12)18-16-5-2-13-10-14(17)3-4-15(13)16/h3-4,10-12,16,18H,2,5-9H2,1H3
InChIKeyLDQUSCZJPNPLFG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.22
Rot. Bonds3

About 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103779432) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103779432
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(F)ccc21)C1CCOCC1
InChIInChI=1S/C16H22FNO/c1-11(12-6-8-19-9-7-12)18-16-5-2-13-10-14(17)3-4-15(13)16/h3-4,10-12,16,18H,2,5-9H2,1H3
InChIKeyLDQUSCZJPNPLFG-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103779432) is 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2cc(F)ccc21)C1CCOCC1.
What is the InChIKey of 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LDQUSCZJPNPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11(12-6-8-19-9-7-12)18-16-5-2-13-10-14(17)3-4-15(13)16/h3-4,10-12,16,18H,2,5-9H2,1H3.
What are the key properties of 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103779432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).