N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine

C15H18FN3O2 — CID 54584775

IUPACN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cncc(-c2ccc(F)cc2OC)n1
InChIInChI=1S/C15H18FN3O2/c1-20-6-5-17-8-12-9-18-10-14(19-12)13-4-3-11(16)7-15(13)21-2/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKeyHLJWDAFEAVLAAZ-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.03
Rot. Bonds7

About N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine

N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 54584775) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine
PubChem CID54584775
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cncc(-c2ccc(F)cc2OC)n1
InChIInChI=1S/C15H18FN3O2/c1-20-6-5-17-8-12-9-18-10-14(19-12)13-4-3-11(16)7-15(13)21-2/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKeyHLJWDAFEAVLAAZ-UHFFFAOYSA-N
XLogP2.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine (CID 54584775) is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine is COCCNCc1cncc(-c2ccc(F)cc2OC)n1.
What is the InChIKey of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is HLJWDAFEAVLAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-6-5-17-8-12-9-18-10-14(19-12)13-4-3-11(16)7-15(13)21-2/h3-4,7,9-10,17H,5-6,8H2,1-2H3.
What are the key properties of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine?
N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 291.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 54584775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).