2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine

C12H12ClN3 — CID 60818285

IUPAC2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-6,8,11H,7,14H2
InChIKeyDTPJOGQTAYAWEL-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.37
Rot. Bonds3

About 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine

2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine (PubChem CID 60818285) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine
PubChem CID60818285
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-6,8,11H,7,14H2
InChIKeyDTPJOGQTAYAWEL-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

Analyze 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichlorophenyl)-1-pyrazin-2-ylethanamine
CID 65321517
2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60819170
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
2-(3-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105086005
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
CID 106687882
3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
2-(3-bromophenyl)-1-pyrazin-2-ylethanol
CID 60798703
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine (CID 60818285) is 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine is NC(Cc1cccc(Cl)c1)c1cnccn1.
What is the InChIKey of 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine?
The InChIKey is DTPJOGQTAYAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-3-1-2-9(6-10)7-11(14)12-8-15-4-5-16-12/h1-6,8,11H,7,14H2.
What are the key properties of 2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine?
2-(3-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-(3-chlorophenyl)-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 60818285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).