2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol

C15H18ClN3O — CID 133403852

IUPAC2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol
SMILESCCN(CC(O)c1ccc(C)cc1)c1cncc(Cl)n1
InChIInChI=1S/C15H18ClN3O/c1-3-19(15-9-17-8-14(16)18-15)10-13(20)12-6-4-11(2)5-7-12/h4-9,13,20H,3,10H2,1-2H3
InChIKeyOSIVIDURSYEAGC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.00
Rot. Bonds5

About 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol

2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol (PubChem CID 133403852) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol
PubChem CID133403852
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol
SMILESCCN(CC(O)c1ccc(C)cc1)c1cncc(Cl)n1
InChIInChI=1S/C15H18ClN3O/c1-3-19(15-9-17-8-14(16)18-15)10-13(20)12-6-4-11(2)5-7-12/h4-9,13,20H,3,10H2,1-2H3
InChIKeyOSIVIDURSYEAGC-UHFFFAOYSA-N
XLogP3.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol (CID 133403852) is 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol is CCN(CC(O)c1ccc(C)cc1)c1cncc(Cl)n1.
What is the InChIKey of 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol?
The InChIKey is OSIVIDURSYEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-19(15-9-17-8-14(16)18-15)10-13(20)12-6-4-11(2)5-7-12/h4-9,13,20H,3,10H2,1-2H3.
What are the key properties of 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol?
2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazin-2-yl)-ethylamino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 133403852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).