3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine

C29H32N2O — CID 142207272

IUPAC3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine
SMILESCCc1ccc(COCc2cccnc2)cc1.Cc1ccc(CCc2ccncc2)cc1
InChIInChI=1S/C15H17NO.C14H15N/c1-2-13-5-7-14(8-6-13)11-17-12-15-4-3-9-16-10-15;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h3-10H,2,11-12H2,1H3;2-5,8-11H,6-7H2,1H3
InChIKeyMAGNOBLUJQYOKF-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.54
Rot. Bonds8

About 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine

3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine (PubChem CID 142207272) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine
PubChem CID142207272
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine
SMILESCCc1ccc(COCc2cccnc2)cc1.Cc1ccc(CCc2ccncc2)cc1
InChIInChI=1S/C15H17NO.C14H15N/c1-2-13-5-7-14(8-6-13)11-17-12-15-4-3-9-16-10-15;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h3-10H,2,11-12H2,1H3;2-5,8-11H,6-7H2,1H3
InChIKeyMAGNOBLUJQYOKF-UHFFFAOYSA-N
XLogP6.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
3-ethylpyridine
CID 10823
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080
3-[[4-(2-fluorophenyl)phenyl]methoxymethyl]pyridine;hydrochloride
CID 3066120
ethyl 1-[4-[4-(pyridin-3-ylmethoxymethyl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 90047724
N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
CID 3025101
ethane;4-ethylpyridine
CID 142005045
6-ethylazecin-3-ol
CID 89227055

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine?
The IUPAC name of 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine (CID 142207272) is 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine?
The canonical SMILES for 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine is CCc1ccc(COCc2cccnc2)cc1.Cc1ccc(CCc2ccncc2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine?
The InChIKey is MAGNOBLUJQYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C14H15N/c1-2-13-5-7-14(8-6-13)11-17-12-15-4-3-9-16-10-15;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h3-10H,2,11-12H2,1H3;2-5,8-11H,6-7H2,1H3.
What are the key properties of 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine?
3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine has a molecular weight of 424.59 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 142207272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).