5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine

C19H25NO — CID 19859707

IUPAC5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine
SMILESCCCOc1ccc(C(C)c2ccc(CCC)nc2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-18-10-7-17(14-20-18)15(3)16-8-11-19(12-9-16)21-13-5-2/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyPBQZGVQMLFQPQV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.97
Rot. Bonds7

About 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine

5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine (PubChem CID 19859707) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine.

Molecular Properties

Compound Name5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine
PubChem CID19859707
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine
SMILESCCCOc1ccc(C(C)c2ccc(CCC)nc2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-18-10-7-17(14-20-18)15(3)16-8-11-19(12-9-16)21-13-5-2/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyPBQZGVQMLFQPQV-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 ≤ 500283.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine?
The IUPAC name of 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine (CID 19859707) is 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine.
What is the SMILES notation for 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine?
The canonical SMILES for 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine is CCCOc1ccc(C(C)c2ccc(CCC)nc2)cc1.
What is the InChIKey of 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine?
The InChIKey is PBQZGVQMLFQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-6-18-10-7-17(14-20-18)15(3)16-8-11-19(12-9-16)21-13-5-2/h7-12,14-15H,4-6,13H2,1-3H3.
What are the key properties of 5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine?
5-[1-(4-propoxyphenyl)ethyl]-2-propylpyridine has a molecular weight of 283.42 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-propoxyphenyl)ethyl]-2-propylpyridine is sourced from PubChem (CID 19859707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).