3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine

C17H21NO — CID 107669015

IUPAC3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
SMILESCCC(C)c1ccc(OCCc2cccnc2)cc1
InChIInChI=1S/C17H21NO/c1-3-14(2)16-6-8-17(9-7-16)19-12-10-15-5-4-11-18-13-15/h4-9,11,13-14H,3,10,12H2,1-2H3
InChIKeyUEIUSABLDKCHIL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.22
Rot. Bonds6

About 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine

3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine (PubChem CID 107669015) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
PubChem CID107669015
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
SMILESCCC(C)c1ccc(OCCc2cccnc2)cc1
InChIInChI=1S/C17H21NO/c1-3-14(2)16-6-8-17(9-7-16)19-12-10-15-5-4-11-18-13-15/h4-9,11,13-14H,3,10,12H2,1-2H3
InChIKeyUEIUSABLDKCHIL-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
CID 63264668
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile
CID 60913069
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 60891122
(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine?
The IUPAC name of 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine (CID 107669015) is 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine.
What is the SMILES notation for 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine?
The canonical SMILES for 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine is CCC(C)c1ccc(OCCc2cccnc2)cc1.
What is the InChIKey of 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine?
The InChIKey is UEIUSABLDKCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-14(2)16-6-8-17(9-7-16)19-12-10-15-5-4-11-18-13-15/h4-9,11,13-14H,3,10,12H2,1-2H3.
What are the key properties of 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine?
3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine has a molecular weight of 255.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine is sourced from PubChem (CID 107669015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).