2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

C13H14FN3 — CID 62762139

IUPAC2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESFc1ccc(CCNCc2cnccn2)cc1
InChIInChI=1S/C13H14FN3/c14-12-3-1-11(2-4-12)5-6-15-9-13-10-16-7-8-17-13/h1-4,7-8,10,15H,5-6,9H2
InChIKeyPLDJECMZRFLWPS-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 62762139) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID62762139
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESFc1ccc(CCNCc2cnccn2)cc1
InChIInChI=1S/C13H14FN3/c14-12-3-1-11(2-4-12)5-6-15-9-13-10-16-7-8-17-13/h1-4,7-8,10,15H,5-6,9H2
InChIKeyPLDJECMZRFLWPS-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine
CID 167745368
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536124
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 64800428
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
2-(1,2,4-oxadiazol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106395144
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 62762139) is 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is Fc1ccc(CCNCc2cnccn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is PLDJECMZRFLWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-12-3-1-11(2-4-12)5-6-15-9-13-10-16-7-8-17-13/h1-4,7-8,10,15H,5-6,9H2.
What are the key properties of 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 231.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62762139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).