2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol

C13H21NO2 — CID 116752751

IUPAC2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
SMILESCCC(CC)(OC)C(O)c1ccc(C)nc1
InChIInChI=1S/C13H21NO2/c1-5-13(6-2,16-4)12(15)11-8-7-10(3)14-9-11/h7-9,12,15H,5-6H2,1-4H3
InChIKeyBBIJOEFDIQGIAE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.63
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol

2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol (PubChem CID 116752751) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
PubChem CID116752751
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
SMILESCCC(CC)(OC)C(O)c1ccc(C)nc1
InChIInChI=1S/C13H21NO2/c1-5-13(6-2,16-4)12(15)11-8-7-10(3)14-9-11/h7-9,12,15H,5-6H2,1-4H3
InChIKeyBBIJOEFDIQGIAE-UHFFFAOYSA-N
XLogP2.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116752175
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79197654
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 79198511
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
CID 170817362
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 103027120

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol (CID 116752751) is 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol is CCC(CC)(OC)C(O)c1ccc(C)nc1.
What is the InChIKey of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is BBIJOEFDIQGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-13(6-2,16-4)12(15)11-8-7-10(3)14-9-11/h7-9,12,15H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol?
2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 116752751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).