2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol

C23H28FN3O2 — CID 68844987

IUPAC2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol
SMILESCOc1ccc(CC(C)(C)F)cc1C(CO)(c1cnc2ccccc2n1)N(C)C
InChIInChI=1S/C23H28FN3O2/c1-22(2,24)13-16-10-11-20(29-5)17(12-16)23(15-28,27(3)4)21-14-25-18-8-6-7-9-19(18)26-21/h6-12,14,28H,13,15H2,1-5H3
InChIKeyIDVAHCODSOHZMD-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.73
Rot. Bonds7

About 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol

2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol (PubChem CID 68844987) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol.

Molecular Properties

Compound Name2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol
PubChem CID68844987
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol
SMILESCOc1ccc(CC(C)(C)F)cc1C(CO)(c1cnc2ccccc2n1)N(C)C
InChIInChI=1S/C23H28FN3O2/c1-22(2,24)13-16-10-11-20(29-5)17(12-16)23(15-28,27(3)4)21-14-25-18-8-6-7-9-19(18)26-21/h6-12,14,28H,13,15H2,1-5H3
InChIKeyIDVAHCODSOHZMD-UHFFFAOYSA-N
XLogP3.73
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol?
The IUPAC name of 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol (CID 68844987) is 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol.
What is the SMILES notation for 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol?
The canonical SMILES for 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol is COc1ccc(CC(C)(C)F)cc1C(CO)(c1cnc2ccccc2n1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol?
The InChIKey is IDVAHCODSOHZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-22(2,24)13-16-10-11-20(29-5)17(12-16)23(15-28,27(3)4)21-14-25-18-8-6-7-9-19(18)26-21/h6-12,14,28H,13,15H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol?
2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol has a molecular weight of 397.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-quinoxalin-2-ylethanol is sourced from PubChem (CID 68844987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).