2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine

C19H25NO — CID 70870203

IUPAC2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine
SMILESCCC(C)(CC)Cc1cccc(-c2cccc(OC)n2)c1
InChIInChI=1S/C19H25NO/c1-5-19(3,6-2)14-15-9-7-10-16(13-15)17-11-8-12-18(20-17)21-4/h7-13H,5-6,14H2,1-4H3
InChIKeyQZDWZTWDHAYUCV-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.13
Rot. Bonds6

About 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine

2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine (PubChem CID 70870203) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine
PubChem CID70870203
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine
SMILESCCC(C)(CC)Cc1cccc(-c2cccc(OC)n2)c1
InChIInChI=1S/C19H25NO/c1-5-19(3,6-2)14-15-9-7-10-16(13-15)17-11-8-12-18(20-17)21-4/h7-13H,5-6,14H2,1-4H3
InChIKeyQZDWZTWDHAYUCV-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine?
The IUPAC name of 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine (CID 70870203) is 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine.
What is the SMILES notation for 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine?
The canonical SMILES for 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine is CCC(C)(CC)Cc1cccc(-c2cccc(OC)n2)c1.
What is the InChIKey of 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine?
The InChIKey is QZDWZTWDHAYUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-19(3,6-2)14-15-9-7-10-16(13-15)17-11-8-12-18(20-17)21-4/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine?
2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine has a molecular weight of 283.42 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethyl-2-methylbutyl)phenyl]-6-methoxypyridine is sourced from PubChem (CID 70870203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).