(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride

C14H20ClN3O — CID 155567878

IUPAC(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride
SMILESCC(C)(C)c1ccc2nc([C@H](N)CO)cnc2c1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-14(2,3)9-4-5-11-12(6-9)16-7-13(17-11)10(15)8-18;/h4-7,10,18H,8,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyZKCYGCZNLMTVGB-HNCPQSOCSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds2

About (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride

(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride (PubChem CID 155567878) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride
PubChem CID155567878
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride
SMILESCC(C)(C)c1ccc2nc([C@H](N)CO)cnc2c1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-14(2,3)9-4-5-11-12(6-9)16-7-13(17-11)10(15)8-18;/h4-7,10,18H,8,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyZKCYGCZNLMTVGB-HNCPQSOCSA-N
XLogP2.34
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride (CID 155567878) is (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride is CC(C)(C)c1ccc2nc([C@H](N)CO)cnc2c1.Cl.
What is the InChIKey of (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride?
The InChIKey is ZKCYGCZNLMTVGB-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-14(2,3)9-4-5-11-12(6-9)16-7-13(17-11)10(15)8-18;/h4-7,10,18H,8,15H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride?
(2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-tert-butylquinoxalin-2-yl)ethanol;hydrochloride is sourced from PubChem (CID 155567878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).