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

C16H23F2N3 — CID 107521734

IUPAC1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESCC1CN2CCCC2CN1CC(N)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3/c1-11-8-20-6-2-3-13(20)9-21(11)10-16(19)14-5-4-12(17)7-15(14)18/h4-5,7,11,13,16H,2-3,6,8-10,19H2,1H3
InChIKeyNLAVXWVQSUTILX-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.13
Rot. Bonds3

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

1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine (PubChem CID 107521734) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
PubChem CID107521734
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESCC1CN2CCCC2CN1CC(N)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3/c1-11-8-20-6-2-3-13(20)9-21(11)10-16(19)14-5-4-12(17)7-15(14)18/h4-5,7,11,13,16H,2-3,6,8-10,19H2,1H3
InChIKeyNLAVXWVQSUTILX-UHFFFAOYSA-N
XLogP2.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
(3R,8aR)-2-[(2,5-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603779
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072
1-cyclopropyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79938013
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
2-(4-bromo-2-fluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79927936
2-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
CID 79938635
5-fluoro-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzoic acid
CID 79935111
(3S)-2-[(2,6-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211191
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propane-1,2-diol
CID 115773027
1-(3-aminophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 79940896
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine (CID 107521734) is 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine is CC1CN2CCCC2CN1CC(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The InChIKey is NLAVXWVQSUTILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c1-11-8-20-6-2-3-13(20)9-21(11)10-16(19)14-5-4-12(17)7-15(14)18/h4-5,7,11,13,16H,2-3,6,8-10,19H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine is sourced from PubChem (CID 107521734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).