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

C19H25NO — CID 19858932

IUPAC2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
SMILESCCCCOc1ccc(C(C)c2ccc(CC)cn2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-13-21-18-10-8-17(9-11-18)15(3)19-12-7-16(5-2)14-20-19/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyWJCXDGXUDMVCGV-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.97
Rot. Bonds7

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

2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine (PubChem CID 19858932) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine.

Molecular Properties

Compound Name2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
PubChem CID19858932
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
SMILESCCCCOc1ccc(C(C)c2ccc(CC)cn2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-13-21-18-10-8-17(9-11-18)15(3)19-12-7-16(5-2)14-20-19/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyWJCXDGXUDMVCGV-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

2-[1-(4-pentoxyphenyl)ethyl]-5-propylpyridine
CID 19859674
2-[1-(4-heptoxyphenyl)ethyl]-5-octylpyridine
CID 19859021
2-[1-(4-heptoxyphenyl)ethyl]-5-heptylpyridine
CID 19858643
5-butyl-2-[1-(4-octoxyphenyl)ethyl]pyridine
CID 19859623
2-[1-(4-octoxyphenyl)ethyl]-5-pentylpyridine
CID 19859018
2-[1-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 19859124
5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine
CID 19859422
2-[1-[4-(4-heptoxyphenyl)phenyl]ethyl]-5-propylpyridine
CID 19858906
5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 19859414
2-[1-(4-ethoxyphenyl)ethyl]-5-hexylpyridine
CID 19858713
5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine
CID 19858973
2-[1-(4-methoxyphenyl)ethyl]-5-pentylpyridine
CID 19858872

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine?
The IUPAC name of 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine (CID 19858932) is 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine.
What is the SMILES notation for 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine?
The canonical SMILES for 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine is CCCCOc1ccc(C(C)c2ccc(CC)cn2)cc1.
What is the InChIKey of 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine?
The InChIKey is WJCXDGXUDMVCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-6-13-21-18-10-8-17(9-11-18)15(3)19-12-7-16(5-2)14-20-19/h7-12,14-15H,4-6,13H2,1-3H3.
What are the key properties of 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine?
2-[1-(4-butoxyphenyl)ethyl]-5-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 2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine is sourced from PubChem (CID 19858932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).