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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Related Compounds

2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol
CID 53408836
3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 97099338
7-ethyl-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356834
2-[ethyl-(5-methyl-3-nitro-2-pyridinyl)amino]-1-(4-methylphenyl)ethanol
CID 133356857
2-chloro-6-[(2S)-2-(4-methylphenyl)propyl]pyrazine
CID 58217186
2-[ethyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-1-(4-methylphenyl)ethanol
CID 133356856
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid
CID 119139225
2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 54943266
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032

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).