3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine

C13H21F2N3O2 — CID 103149941

IUPAC3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1nccnc1OC
InChIInChI=1S/C13H21F2N3O2/c1-3-5-16-10(4-8-20-9-11(14)15)12-13(19-2)18-7-6-17-12/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyXNIVTJLJRAZCRM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.20
Rot. Bonds10

About 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine (PubChem CID 103149941) has the molecular formula C13H21F2N3O2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine
PubChem CID103149941
Molecular FormulaC13H21F2N3O2
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1nccnc1OC
InChIInChI=1S/C13H21F2N3O2/c1-3-5-16-10(4-8-20-9-11(14)15)12-13(19-2)18-7-6-17-12/h6-7,10-11,16H,3-5,8-9H2,1-2H3
InChIKeyXNIVTJLJRAZCRM-UHFFFAOYSA-N
XLogP2.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148360
N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148577
1-(3-methoxypyrazin-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148740
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103149316
3-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 103149654
3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 103149968
[1-(3-Methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151435
[3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propyl]hydrazine
CID 103151753
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216135
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 103216136
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine (CID 103149941) is 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine is CCCNC(CCOCC(F)F)c1nccnc1OC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine?
The InChIKey is XNIVTJLJRAZCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2/c1-3-5-16-10(4-8-20-9-11(14)15)12-13(19-2)18-7-6-17-12/h6-7,10-11,16H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine has a molecular weight of 289.33 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103149941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).