5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine

C19H25NO — CID 19859555

IUPAC5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine
SMILESCCCCOc1ccc(C(C)c2ccc(CC)nc2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-13-21-19-11-8-16(9-12-19)15(3)17-7-10-18(5-2)20-14-17/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyFIKDKONUJSYWII-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.97
Rot. Bonds7

About 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine

5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine (PubChem CID 19859555) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine.

Molecular Properties

Compound Name5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine
PubChem CID19859555
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine
SMILESCCCCOc1ccc(C(C)c2ccc(CC)nc2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-13-21-19-11-8-16(9-12-19)15(3)17-7-10-18(5-2)20-14-17/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyFIKDKONUJSYWII-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine
CID 19859707
2-hexyl-5-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 19859603
2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
CID 19858932
(1R)-1-(6-ethyl-3-pyridinyl)ethanamine
CID 124547255
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
2-[1-(4-pentoxyphenyl)ethyl]-5-propylpyridine
CID 19859674
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
1,2-bis(4-octadecoxyphenyl)ethane-1,2-dithiol
CID 101102634
1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine
CID 88977966
1,2-bis(4-octoxyphenyl)ethane-1,2-dithiol
CID 101102640

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine?
The IUPAC name of 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine (CID 19859555) is 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine.
What is the SMILES notation for 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine?
The canonical SMILES for 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine is CCCCOc1ccc(C(C)c2ccc(CC)nc2)cc1.
What is the InChIKey of 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine?
The InChIKey is FIKDKONUJSYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-6-13-21-19-11-8-16(9-12-19)15(3)17-7-10-18(5-2)20-14-17/h7-12,14-15H,4-6,13H2,1-3H3.
What are the key properties of 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine?
5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine has a molecular weight of 283.41 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-butoxyphenyl)ethyl]-2-ethylpyridine is sourced from PubChem (CID 19859555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).