2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol

C20H21N3O — CID 11638319

IUPAC2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C20H21N3O/c1-23(2)19(16-8-4-3-5-9-16)20(24,17-10-6-12-21-14-17)18-11-7-13-22-15-18/h3-15,19,24H,1-2H3
InChIKeyJPKILPNLNPLMOZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.02
Rot. Bonds5

About 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol

2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol (PubChem CID 11638319) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
PubChem CID11638319
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C20H21N3O/c1-23(2)19(16-8-4-3-5-9-16)20(24,17-10-6-12-21-14-17)18-11-7-13-22-15-18/h3-15,19,24H,1-2H3
InChIKeyJPKILPNLNPLMOZ-UHFFFAOYSA-N
XLogP3.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol (CID 11638319) is 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol is CN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
The InChIKey is JPKILPNLNPLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(2)19(16-8-4-3-5-9-16)20(24,17-10-6-12-21-14-17)18-11-7-13-22-15-18/h3-15,19,24H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol has a molecular weight of 319.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 11638319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).