6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine

C26H31NO2 — CID 66995168

IUPAC6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2)c(C)n1
InChIInChI=1S/C26H31NO2/c1-6-20-12-11-13-21(7-2)26(20)24-16-25(29-18(3)4)23(19(5)27-24)17-28-22-14-9-8-10-15-22/h8-16,18H,6-7,17H2,1-5H3
InChIKeyWQTJTPPIQDCNGD-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.55
Rot. Bonds8

About 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine

6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine (PubChem CID 66995168) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
PubChem CID66995168
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2)c(C)n1
InChIInChI=1S/C26H31NO2/c1-6-20-12-11-13-21(7-2)26(20)24-16-25(29-18(3)4)23(19(5)27-24)17-28-22-14-9-8-10-15-22/h8-16,18H,6-7,17H2,1-5H3
InChIKeyWQTJTPPIQDCNGD-UHFFFAOYSA-N
XLogP6.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
CID 66995131
6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
CID 66994470
3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
CID 66994471
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine
CID 66995144
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
CID 66993952
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine
CID 66993888
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
CID 66994684
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
CID 66994944
6-(2,6-diethylphenyl)-2-methyl-3-[[(3S)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine
CID 66993736
6-(2,6-diethylphenyl)-2-methyl-3-[[(3R)-3-phenylpiperidin-1-yl]methyl]-4-propan-2-yloxypyridine
CID 66994280
6-(2,6-diethylphenyl)-3-[(3,5-difluorophenoxy)methyl]-2,4-dimethylpyridine
CID 66994037
6-(2,6-diethylphenyl)-2,4-dimethyl-3-[(3-propylphenoxy)methyl]pyridine
CID 66994787

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine (CID 66995168) is 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2)c(C)n1.
What is the InChIKey of 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine?
The InChIKey is WQTJTPPIQDCNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-6-20-12-11-13-21(7-2)26(20)24-16-25(29-18(3)4)23(19(5)27-24)17-28-22-14-9-8-10-15-22/h8-16,18H,6-7,17H2,1-5H3.
What are the key properties of 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine?
6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine has a molecular weight of 389.54 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine is sourced from PubChem (CID 66995168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).