2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol

C22H25N3O2 — CID 11660563

IUPAC2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCOCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H25N3O2/c1-25(14-15-27-2)21(18-8-4-3-5-9-18)22(26,19-10-6-12-23-16-19)20-11-7-13-24-17-20/h3-13,16-17,21,26H,14-15H2,1-2H3
InChIKeyXRELUBWLPZIXSQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.03
Rot. Bonds8

About 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol

2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol (PubChem CID 11660563) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
PubChem CID11660563
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESCOCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C22H25N3O2/c1-25(14-15-27-2)21(18-8-4-3-5-9-18)22(26,19-10-6-12-23-16-19)20-11-7-13-24-17-20/h3-13,16-17,21,26H,14-15H2,1-2H3
InChIKeyXRELUBWLPZIXSQ-UHFFFAOYSA-N
XLogP3.03
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Doxylamine
CID 3162
Pirmenol
CID 65502
Metyrapol
CID 161210
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
(R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-3-yl)prop-2-yn-1-ol
CID 9946298
(R)-6-(3-hydroxypropyl)-6-phenyl-3-((S)-1-(4-(pyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58109251
(R)-6-(3-hydroxypropyl)-6-phenyl-3-((S)-1-(4-(pyridin-4-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58485355
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol (CID 11660563) is 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol is COCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
The InChIKey is XRELUBWLPZIXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25(14-15-27-2)21(18-8-4-3-5-9-18)22(26,19-10-6-12-23-16-19)20-11-7-13-24-17-20/h3-13,16-17,21,26H,14-15H2,1-2H3.
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol?
2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol has a molecular weight of 363.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 11660563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).