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

C16H17FN2 — CID 83117666

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)c1ccc(F)cn1
InChIInChI=1S/C16H17FN2/c1-11(15-9-7-13(17)10-18-15)19-16-8-6-12-4-2-3-5-14(12)16/h2-5,7,9-11,16,19H,6,8H2,1H3
InChIKeyOZOURVRXLFZICE-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.56
Rot. Bonds3

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

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 83117666) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID83117666
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)c1ccc(F)cn1
InChIInChI=1S/C16H17FN2/c1-11(15-9-7-13(17)10-18-15)19-16-8-6-12-4-2-3-5-14(12)16/h2-5,7,9-11,16,19H,6,8H2,1H3
InChIKeyOZOURVRXLFZICE-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 21855
CID 21855
CID 68864
CID 68864
CID 161283
CID 161283
CID 12963076
CID 12963076
CID 6604866
CID 6604866
CID 2770910
CID 2770910
CID 6539763
CID 6539763
CID 6539764
CID 6539764
CID 6539783
CID 6539783
CID 6539788
CID 6539788
CID 6539789
CID 6539789
CID 6539791
CID 6539791

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 83117666) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2ccccc21)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OZOURVRXLFZICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-11(15-9-7-13(17)10-18-15)19-16-8-6-12-4-2-3-5-14(12)16/h2-5,7,9-11,16,19H,6,8H2,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 256.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83117666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).