N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine

C14H15F2N3O — CID 107382115

IUPACN-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2cccc(F)c2F)cn1
InChIInChI=1S/C14H15F2N3O/c1-2-6-17-7-10-8-19-13(9-18-10)20-12-5-3-4-11(15)14(12)16/h3-5,8-9,17H,2,6-7H2,1H3
InChIKeyZTLVZZQPMQZXDM-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.05
Rot. Bonds6

About N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107382115) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107382115
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2cccc(F)c2F)cn1
InChIInChI=1S/C14H15F2N3O/c1-2-6-17-7-10-8-19-13(9-18-10)20-12-5-3-4-11(15)14(12)16/h3-5,8-9,17H,2,6-7H2,1H3
InChIKeyZTLVZZQPMQZXDM-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.05
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

N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908315
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 107382115) is N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(Oc2cccc(F)c2F)cn1.
What is the InChIKey of N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is ZTLVZZQPMQZXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-6-17-7-10-8-19-13(9-18-10)20-12-5-3-4-11(15)14(12)16/h3-5,8-9,17H,2,6-7H2,1H3.
What are the key properties of N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 279.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107382115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).