1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C13H14FN3 — CID 55122035

IUPAC1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cccc(F)c2)cn1
InChIInChI=1S/C13H14FN3/c1-10-6-17-13(9-16-10)8-15-7-11-3-2-4-12(14)5-11/h2-6,9,15H,7-8H2,1H3
InChIKeyHZMCXTVLFYLTBE-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 55122035) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID55122035
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cccc(F)c2)cn1
InChIInChI=1S/C13H14FN3/c1-10-6-17-13(9-16-10)8-15-7-11-3-2-4-12(14)5-11/h2-6,9,15H,7-8H2,1H3
InChIKeyHZMCXTVLFYLTBE-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848282
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 114842312
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
1-(1H-indol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 102910805
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847891
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 55122035) is 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2cccc(F)c2)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is HZMCXTVLFYLTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10-6-17-13(9-16-10)8-15-7-11-3-2-4-12(14)5-11/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 55122035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).