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

C12H19F2N3O — CID 103149968

IUPAC3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C12H19F2N3O/c1-2-4-16-10(3-7-18-9-12(13)14)11-8-15-5-6-17-11/h5-6,8,10,12,16H,2-4,7,9H2,1H3
InChIKeyZOBSUNJZWWJKJQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.19
Rot. Bonds9

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

3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 103149968) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID103149968
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOCC(F)F)c1cnccn1
InChIInChI=1S/C12H19F2N3O/c1-2-4-16-10(3-7-18-9-12(13)14)11-8-15-5-6-17-11/h5-6,8,10,12,16H,2-4,7,9H2,1H3
InChIKeyZOBSUNJZWWJKJQ-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-pyrazin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095074
N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62761305
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-propyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine (CID 103149968) is 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine is CCCNC(CCOCC(F)F)c1cnccn1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is ZOBSUNJZWWJKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-2-4-16-10(3-7-18-9-12(13)14)11-8-15-5-6-17-11/h5-6,8,10,12,16H,2-4,7,9H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine?
3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 2.19, 9 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-propyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 103149968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).