2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine

C16H24FN3 — CID 106532927

IUPAC2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine
SMILESCC1CN2CCCC2CN1c1cc(F)cc(CCN)c1
InChIInChI=1S/C16H24FN3/c1-12-10-19-6-2-3-15(19)11-20(12)16-8-13(4-5-18)7-14(17)9-16/h7-9,12,15H,2-6,10-11,18H2,1H3
InChIKeyBIAUFNUBEMOHEI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.00
Rot. Bonds3

About 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine

2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine (PubChem CID 106532927) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine
PubChem CID106532927
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine
SMILESCC1CN2CCCC2CN1c1cc(F)cc(CCN)c1
InChIInChI=1S/C16H24FN3/c1-12-10-19-6-2-3-15(19)11-20(12)16-8-13(4-5-18)7-14(17)9-16/h7-9,12,15H,2-6,10-11,18H2,1H3
InChIKeyBIAUFNUBEMOHEI-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

Analyze 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine with MolForge

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Related Compounds

2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532879
2-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83082551
2-(2-bromo-4,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939297
3-methyl-2-(2,3,5-trifluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925682
2-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80634545
2-(4-bromo-2,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940038
2-(2,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931182
2-(4-chloro-3-fluorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926232
3-methyl-2-(4-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926456
2-(2-fluoro-5-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931457
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine (CID 106532927) is 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine is CC1CN2CCCC2CN1c1cc(F)cc(CCN)c1.
What is the InChIKey of 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine?
The InChIKey is BIAUFNUBEMOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12-10-19-6-2-3-15(19)11-20(12)16-8-13(4-5-18)7-14(17)9-16/h7-9,12,15H,2-6,10-11,18H2,1H3.
What are the key properties of 2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine?
2-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-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-[3-fluoro-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 106532927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).