N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine

C13H14FN3 — CID 62500611

IUPACN-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccccc1F
InChIInChI=1S/C13H14FN3/c1-2-16-13(12-9-15-7-8-17-12)10-5-3-4-6-11(10)14/h3-9,13,16H,2H2,1H3
InChIKeyXHBXPVGXAJUGPR-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.31
Rot. Bonds4

About N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 62500611) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID62500611
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccccc1F
InChIInChI=1S/C13H14FN3/c1-2-16-13(12-9-15-7-8-17-12)10-5-3-4-6-11(10)14/h3-9,13,16H,2H2,1H3
InChIKeyXHBXPVGXAJUGPR-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860322
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105150060
(1R)-1-(2-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81379851
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 107993288
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine (CID 62500611) is N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is XHBXPVGXAJUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-2-16-13(12-9-15-7-8-17-12)10-5-3-4-6-11(10)14/h3-9,13,16H,2H2,1H3.
What are the key properties of N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 62500611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).