2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol

C15H19N3O — CID 102612275

IUPAC2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol
SMILESCc1nccnc1C(C)NCC(O)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-15(17-9-8-16-11)12(2)18-10-14(19)13-6-4-3-5-7-13/h3-9,12,14,18-19H,10H2,1-2H3
InChIKeyVKPJWBWLAONIII-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds5

About 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol

2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol (PubChem CID 102612275) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol
PubChem CID102612275
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol
SMILESCc1nccnc1C(C)NCC(O)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-11-15(17-9-8-16-11)12(2)18-10-14(19)13-6-4-3-5-7-13/h3-9,12,14,18-19H,10H2,1-2H3
InChIKeyVKPJWBWLAONIII-UHFFFAOYSA-N
XLogP2.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
(2R)-2-[1-(3-methylpyrazin-2-yl)ethylamino]-2-phenylethanol
CID 102612924
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-(3-methylbutan-2-ylamino)-1-phenylethanol
CID 12904820
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol?
The IUPAC name of 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol (CID 102612275) is 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol is Cc1nccnc1C(C)NCC(O)c1ccccc1.
What is the InChIKey of 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol?
The InChIKey is VKPJWBWLAONIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-15(17-9-8-16-11)12(2)18-10-14(19)13-6-4-3-5-7-13/h3-9,12,14,18-19H,10H2,1-2H3.
What are the key properties of 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol?
2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol has a molecular weight of 257.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpyrazin-2-yl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 102612275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).