2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine

C13H14FN3O — CID 113421578

IUPAC2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)Cc1cccc(F)c1
InChIInChI=1S/C13H14FN3O/c1-18-13-12(16-5-6-17-13)11(15)8-9-3-2-4-10(14)7-9/h2-7,11H,8,15H2,1H3
InChIKeyWMQFETLFQHTVDH-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.87
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine

2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 113421578) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID113421578
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)Cc1cccc(F)c1
InChIInChI=1S/C13H14FN3O/c1-18-13-12(16-5-6-17-13)11(15)8-9-3-2-4-10(14)7-9/h2-7,11H,8,15H2,1H3
InChIKeyWMQFETLFQHTVDH-UHFFFAOYSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
2-(3-fluorophenyl)-1-pyridin-2-ylethanamine
CID 60819500
1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 105030849
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 43118220
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105169346
1-(3-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine (CID 113421578) is 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine is COc1nccnc1C(N)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is WMQFETLFQHTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-13-12(16-5-6-17-13)11(15)8-9-3-2-4-10(14)7-9/h2-7,11H,8,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine?
2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 247.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 113421578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).