2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol

C17H22N2O — CID 79162732

IUPAC2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
SMILESCCC(C)c1ccc(NCc2nc(C)ccc2O)cc1
InChIInChI=1S/C17H22N2O/c1-4-12(2)14-6-8-15(9-7-14)18-11-16-17(20)10-5-13(3)19-16/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyACBKBAMGLAIUIU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.22
Rot. Bonds5

About 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol

2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79162732) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79162732
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
SMILESCCC(C)c1ccc(NCc2nc(C)ccc2O)cc1
InChIInChI=1S/C17H22N2O/c1-4-12(2)14-6-8-15(9-7-14)18-11-16-17(20)10-5-13(3)19-16/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyACBKBAMGLAIUIU-UHFFFAOYSA-N
XLogP4.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163518
6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 78928839
2-[(3-ethylpentan-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 78952615
6-methyl-2-[[1-(4-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928742
4-[(4-butan-2-ylanilino)methyl]-2-fluorophenol
CID 107685413
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156737
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
CID 103924307
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
CID 104586935

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol (CID 79162732) is 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol is CCC(C)c1ccc(NCc2nc(C)ccc2O)cc1.
What is the InChIKey of 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is ACBKBAMGLAIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-12(2)14-6-8-15(9-7-14)18-11-16-17(20)10-5-13(3)19-16/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol?
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol has a molecular weight of 270.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79162732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).