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

C22H25N3O — CID 46885587

IUPAC2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3
InChIKeyJJWNFTHIOIOXBG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.80
Rot. Bonds7

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

2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol (PubChem CID 46885587) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
PubChem CID46885587
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3
InChIKeyJJWNFTHIOIOXBG-UHFFFAOYSA-N
XLogP3.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol (CID 46885587) is 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol is CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
The InChIKey is JJWNFTHIOIOXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol?
2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol has a molecular weight of 347.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 46885587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).