N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine

C14H16FN3O — CID 107381761

IUPACN-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccccc2F)cn1
InChIInChI=1S/C14H16FN3O/c1-2-7-16-8-11-9-18-14(10-17-11)19-13-6-4-3-5-12(13)15/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyVZGKWAGSITVAAR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.91
Rot. Bonds6

About N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107381761) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107381761
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccccc2F)cn1
InChIInChI=1S/C14H16FN3O/c1-2-7-16-8-11-9-18-14(10-17-11)19-13-6-4-3-5-12(13)15/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyVZGKWAGSITVAAR-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.91
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-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 107381761) is N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccccc2F)cn1.
What is the InChIKey of N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is VZGKWAGSITVAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-7-16-8-11-9-18-14(10-17-11)19-13-6-4-3-5-12(13)15/h3-6,9-10,16H,2,7-8H2,1H3.
What are the key properties of N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107381761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).