3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine

C10H15F2N3O — CID 103149349

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C10H15F2N3O/c1-13-8(2-5-16-7-10(11)12)9-6-14-3-4-15-9/h3-4,6,8,10,13H,2,5,7H2,1H3
InChIKeyFVPFLYKKKDHWIJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.41
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 103149349) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID103149349
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C10H15F2N3O/c1-13-8(2-5-16-7-10(11)12)9-6-14-3-4-15-9/h3-4,6,8,10,13H,2,5,7H2,1H3
InChIKeyFVPFLYKKKDHWIJ-UHFFFAOYSA-N
XLogP1.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methoxypropylpyrazine
CID 89121147
N-ethyl-1-pyrazin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095074
3,3,3-trifluoro-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 63969647
N-ethyl-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine
CID 63969648
3,3,3-trifluoro-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 63969649
N-(1-pyrazin-2-ylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64188815
1-pyrazin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64191748
4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine
CID 64567626
N-ethyl-4,4,4-trifluoro-1-pyrazin-2-ylbutan-1-amine
CID 64567627
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
3-Amino-3-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671275
3-Amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671279

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine (CID 103149349) is 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine is CNC(CCOCC(F)F)c1cnccn1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is FVPFLYKKKDHWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-13-8(2-5-16-7-10(11)12)9-6-14-3-4-15-9/h3-4,6,8,10,13H,2,5,7H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 231.25 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 103149349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).