1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol

C12H19NO2 — CID 105111964

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(C)nc1C
InChIInChI=1S/C12H19NO2/c1-4-7-15-8-12(14)11-6-5-9(2)13-10(11)3/h5-6,12,14H,4,7-8H2,1-3H3
InChIKeyPGLFNUYQXZAYQQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.16
Rot. Bonds5

About 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol

1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol (PubChem CID 105111964) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
PubChem CID105111964
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(C)nc1C
InChIInChI=1S/C12H19NO2/c1-4-7-15-8-12(14)11-6-5-9(2)13-10(11)3/h5-6,12,14H,4,7-8H2,1-3H3
InChIKeyPGLFNUYQXZAYQQ-UHFFFAOYSA-N
XLogP2.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)pentan-1-ol
CID 105085207
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
CID 105111921
2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
CID 62964280
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
CID 105114692
(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
CID 55294133
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol (CID 105111964) is 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol is CCCOCC(O)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol?
The InChIKey is PGLFNUYQXZAYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-15-8-12(14)11-6-5-9(2)13-10(11)3/h5-6,12,14H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol?
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol has a molecular weight of 209.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol is sourced from PubChem (CID 105111964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).