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

C17H27N3 — CID 79937953

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CCN3CCCC3C2)c(C)c1
InChIInChI=1S/C17H27N3/c1-13-5-6-16(14(2)10-13)17(18)12-19-8-9-20-7-3-4-15(20)11-19/h5-6,10,15,17H,3-4,7-9,11-12,18H2,1-2H3
InChIKeyMSEMAESWXFNTJF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.08
Rot. Bonds3

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 79937953) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
PubChem CID79937953
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CCN3CCCC3C2)c(C)c1
InChIInChI=1S/C17H27N3/c1-13-5-6-16(14(2)10-13)17(18)12-19-8-9-20-7-3-4-15(20)11-19/h5-6,10,15,17H,3-4,7-9,11-12,18H2,1-2H3
InChIKeyMSEMAESWXFNTJF-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
2-(2,4-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930616
1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464731
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methylphenyl)ethanol
CID 63150644
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 63149736
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189

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-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine (CID 79937953) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)CN2CCN3CCCC3C2)c(C)c1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is MSEMAESWXFNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-5-6-16(14(2)10-13)17(18)12-19-8-9-20-7-3-4-15(20)11-19/h5-6,10,15,17H,3-4,7-9,11-12,18H2,1-2H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 79937953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).