2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol

C19H26N2O2 — CID 46982482

IUPAC2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCCC(CO)N(Cc1ccccc1C)Cc1nc(C)ccc1O
InChIInChI=1S/C19H26N2O2/c1-4-17(13-22)21(11-16-8-6-5-7-14(16)2)12-18-19(23)10-9-15(3)20-18/h5-10,17,22-23H,4,11-13H2,1-3H3
InChIKeyUECQVXXKWPJILI-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.18
Rot. Bonds7

About 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol

2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 46982482) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID46982482
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol
SMILESCCC(CO)N(Cc1ccccc1C)Cc1nc(C)ccc1O
InChIInChI=1S/C19H26N2O2/c1-4-17(13-22)21(11-16-8-6-5-7-14(16)2)12-18-19(23)10-9-15(3)20-18/h5-10,17,22-23H,4,11-13H2,1-3H3
InChIKeyUECQVXXKWPJILI-UHFFFAOYSA-N
XLogP3.18
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol (CID 46982482) is 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol is CCC(CO)N(Cc1ccccc1C)Cc1nc(C)ccc1O.
What is the InChIKey of 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is UECQVXXKWPJILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-17(13-22)21(11-16-8-6-5-7-14(16)2)12-18-19(23)10-9-15(3)20-18/h5-10,17,22-23H,4,11-13H2,1-3H3.
What are the key properties of 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol?
2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 314.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxybutan-2-yl-[(2-methylphenyl)methyl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 46982482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).