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

C16H25N3O — CID 79938583

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CN2CCN3CCCC3C2)c1
InChIInChI=1S/C16H25N3O/c1-20-15-6-2-4-13(10-15)16(17)12-18-8-9-19-7-3-5-14(19)11-18/h2,4,6,10,14,16H,3,5,7-9,11-12,17H2,1H3
InChIKeyHZQQNMWIOQXIFS-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.48
Rot. Bonds4

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 79938583) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
PubChem CID79938583
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CN2CCN3CCCC3C2)c1
InChIInChI=1S/C16H25N3O/c1-20-15-6-2-4-13(10-15)16(17)12-18-8-9-19-7-3-5-14(19)11-18/h2,4,6,10,14,16H,3,5,7-9,11-12,17H2,1H3
InChIKeyHZQQNMWIOQXIFS-UHFFFAOYSA-N
XLogP1.48
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 107521089
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 79937953
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine (CID 79938583) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CN2CCN3CCCC3C2)c1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is HZQQNMWIOQXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-15-6-2-4-13(10-15)16(17)12-18-8-9-19-7-3-5-14(19)11-18/h2,4,6,10,14,16H,3,5,7-9,11-12,17H2,1H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 79938583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).