2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride

C12H20ClNO — CID 170893850

IUPAC2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride
SMILESCCCc1cccc(OC(C)(C)C)n1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-5-7-10-8-6-9-11(13-10)14-12(2,3)4;/h6,8-9H,5,7H2,1-4H3;1H
InChIKeyFFLKPQQQWSGVGG-UHFFFAOYSA-N
MW229.75 g/mol
LogP3.63
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride

2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride (PubChem CID 170893850) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride
PubChem CID170893850
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride
SMILESCCCc1cccc(OC(C)(C)C)n1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-5-7-10-8-6-9-11(13-10)14-12(2,3)4;/h6,8-9H,5,7H2,1-4H3;1H
InChIKeyFFLKPQQQWSGVGG-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62290561
2-ethoxy-6-propylpyridine
CID 166041245
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
2-ethoxy-6-ethylpyridine
CID 58662042
6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde
CID 2761008
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
CID 122054676
2-ethyl-6-phenoxypyridine
CID 19828151
2-(chloromethyl)-6-(4-propylphenoxy)pyridine
CID 62550143

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride (CID 170893850) is 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride is CCCc1cccc(OC(C)(C)C)n1.Cl.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride?
The InChIKey is FFLKPQQQWSGVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-5-7-10-8-6-9-11(13-10)14-12(2,3)4;/h6,8-9H,5,7H2,1-4H3;1H.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride?
2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-6-propylpyridine;hydrochloride is sourced from PubChem (CID 170893850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).