2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine

C12H12ClN3 — CID 60819170

IUPAC2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
SMILESNC(Cc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C12H12ClN3/c13-10-4-2-1-3-9(10)7-11(14)12-8-15-5-6-16-12/h1-6,8,11H,7,14H2
InChIKeyNBPBYXIVQYWIRP-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.37
Rot. Bonds3

About 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine

2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine (PubChem CID 60819170) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
PubChem CID60819170
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
SMILESNC(Cc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C12H12ClN3/c13-10-4-2-1-3-9(10)7-11(14)12-8-15-5-6-16-12/h1-6,8,11H,7,14H2
InChIKeyNBPBYXIVQYWIRP-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)-1-pyrazin-2-ylethanamine
CID 65321517
3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
CID 104572799
2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60818285
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105096491
(1S)-2-(2-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
CID 166163975
2-(2-chlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 113365589
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453
2-(3-chloro-4-pyridinyl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105157346
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine (CID 60819170) is 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine is NC(Cc1ccccc1Cl)c1cnccn1.
What is the InChIKey of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine?
The InChIKey is NBPBYXIVQYWIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-4-2-1-3-9(10)7-11(14)12-8-15-5-6-16-12/h1-6,8,11H,7,14H2.
What are the key properties of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine?
2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 60819170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).