5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine

C17H21NO2 — CID 67874804

IUPAC5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
SMILESCOc1ccc(CCCCOc2ccc(C)nc2)cc1
InChIInChI=1S/C17H21NO2/c1-14-6-9-17(13-18-14)20-12-4-3-5-15-7-10-16(19-2)11-8-15/h6-11,13H,3-5,12H2,1-2H3
InChIKeyLNDKGIJNHRSEGW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.80
Rot. Bonds7

About 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine

5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine (PubChem CID 67874804) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
PubChem CID67874804
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
SMILESCOc1ccc(CCCCOc2ccc(C)nc2)cc1
InChIInChI=1S/C17H21NO2/c1-14-6-9-17(13-18-14)20-12-4-3-5-15-7-10-16(19-2)11-8-15/h6-11,13H,3-5,12H2,1-2H3
InChIKeyLNDKGIJNHRSEGW-UHFFFAOYSA-N
XLogP3.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
5-butoxy-2-methylpyridine
CID 13154052
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[8-(4-methoxyphenyl)octoxy]pyridine
CID 57023878
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
1-(4-methoxyphenyl)-2-(6-methyl-3-pyridinyl)propan-2-amine
CID 55169860
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
5-ethoxy-2-methylpyridine
CID 573198

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine?
The IUPAC name of 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine (CID 67874804) is 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine?
The canonical SMILES for 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine is COc1ccc(CCCCOc2ccc(C)nc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine?
The InChIKey is LNDKGIJNHRSEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14-6-9-17(13-18-14)20-12-4-3-5-15-7-10-16(19-2)11-8-15/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine?
5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine has a molecular weight of 271.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine is sourced from PubChem (CID 67874804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).