(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol

C14H19N3O — CID 155515503

IUPAC(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol
SMILESCC(C)(C)c1ccc2ncc([C@@H](N)CO)nc2c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)9-4-5-11-12(6-9)17-13(7-16-11)10(15)8-18/h4-7,10,18H,8,15H2,1-3H3/t10-/m0/s1
InChIKeyHHROFROLSNSXDJ-JTQLQIEISA-N
MW245.33 g/mol
LogP1.92
Rot. Bonds2

About (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol

(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol (PubChem CID 155515503) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol
PubChem CID155515503
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol
SMILESCC(C)(C)c1ccc2ncc([C@@H](N)CO)nc2c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)9-4-5-11-12(6-9)17-13(7-16-11)10(15)8-18/h4-7,10,18H,8,15H2,1-3H3/t10-/m0/s1
InChIKeyHHROFROLSNSXDJ-JTQLQIEISA-N
XLogP1.92
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol (CID 155515503) is (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol is CC(C)(C)c1ccc2ncc([C@@H](N)CO)nc2c1.
What is the InChIKey of (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol?
The InChIKey is HHROFROLSNSXDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)9-4-5-11-12(6-9)17-13(7-16-11)10(15)8-18/h4-7,10,18H,8,15H2,1-3H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol?
(2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(7-tert-butylquinoxalin-2-yl)ethanol is sourced from PubChem (CID 155515503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).