2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine

C16H24FN3 — CID 79171052

IUPAC2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine
SMILESCN1C2CCC1CN(c1ccc(F)cc1CCN)CC2
InChIInChI=1S/C16H24FN3/c1-19-14-3-4-15(19)11-20(9-7-14)16-5-2-13(17)10-12(16)6-8-18/h2,5,10,14-15H,3-4,6-9,11,18H2,1H3
InChIKeyHVERVUFTXWFKKT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.00
Rot. Bonds3

About 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine

2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine (PubChem CID 79171052) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine
PubChem CID79171052
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine
SMILESCN1C2CCC1CN(c1ccc(F)cc1CCN)CC2
InChIInChI=1S/C16H24FN3/c1-19-14-3-4-15(19)11-20(9-7-14)16-5-2-13(17)10-12(16)6-8-18/h2,5,10,14-15H,3-4,6-9,11,18H2,1H3
InChIKeyHVERVUFTXWFKKT-UHFFFAOYSA-N
XLogP2.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114238550
2-[2-(4,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63784618
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-fluorophenyl]ethanamine
CID 63782238
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
4-[2-(2-aminoethyl)-4-fluorophenyl]piperazine-1-carbaldehyde
CID 82297807
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
5-iodo-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)aniline
CID 79175056
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114862190
1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine (CID 79171052) is 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine is CN1C2CCC1CN(c1ccc(F)cc1CCN)CC2.
What is the InChIKey of 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine?
The InChIKey is HVERVUFTXWFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-19-14-3-4-15(19)11-20(9-7-14)16-5-2-13(17)10-12(16)6-8-18/h2,5,10,14-15H,3-4,6-9,11,18H2,1H3.
What are the key properties of 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine?
2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine is sourced from PubChem (CID 79171052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).