2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C16H18Cl2N2O — CID 55411660

IUPAC2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-12-15-6-3-7-20(15)9-8-19(12)10-11-21-16-13(17)4-2-5-14(16)18/h2-7,12H,8-11H2,1H3
InChIKeyJZOFHLJNKZAWSE-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.25
Rot. Bonds4

About 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 55411660) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID55411660
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-12-15-6-3-7-20(15)9-8-19(12)10-11-21-16-13(17)4-2-5-14(16)18/h2-7,12H,8-11H2,1H3
InChIKeyJZOFHLJNKZAWSE-UHFFFAOYSA-N
XLogP4.25
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(1R)-1-methyl-2-[[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 26579777
1-[2-(2,6-dichlorophenoxy)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372120
1-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 47013593
1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928392
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570
N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 39718821
1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-amine
CID 89009612
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-pentan-3-ylacetamide
CID 18087503
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405
1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 55411660) is 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC1c2cccn2CCN1CCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is JZOFHLJNKZAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-12-15-6-3-7-20(15)9-8-19(12)10-11-21-16-13(17)4-2-5-14(16)18/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 325.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenoxy)ethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 55411660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).