3-[(4-ethyl-2-methylphenoxy)methyl]pyridine

C15H17NO — CID 176960080

IUPAC3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
SMILESCCc1ccc(OCc2cccnc2)c(C)c1
InChIInChI=1S/C15H17NO/c1-3-13-6-7-15(12(2)9-13)17-11-14-5-4-8-16-10-14/h4-10H,3,11H2,1-2H3
InChIKeyJGXOFPAPJMPPSN-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.53
Rot. Bonds4

About 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine

3-[(4-ethyl-2-methylphenoxy)methyl]pyridine (PubChem CID 176960080) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
PubChem CID176960080
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
SMILESCCc1ccc(OCc2cccnc2)c(C)c1
InChIInChI=1S/C15H17NO/c1-3-13-6-7-15(12(2)9-13)17-11-14-5-4-8-16-10-14/h4-10H,3,11H2,1-2H3
InChIKeyJGXOFPAPJMPPSN-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
3-ethylpyridine
CID 10823
3-ethyl-1-[2-methyl-4-[3-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]pentan-3-yl]phenyl]pent-1-en-3-ol
CID 69335579
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine?
The IUPAC name of 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine (CID 176960080) is 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine?
The canonical SMILES for 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine is CCc1ccc(OCc2cccnc2)c(C)c1.
What is the InChIKey of 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine?
The InChIKey is JGXOFPAPJMPPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-13-6-7-15(12(2)9-13)17-11-14-5-4-8-16-10-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine?
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine has a molecular weight of 227.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-2-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 176960080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).