1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole

C15H19NO — CID 113219800

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
SMILESCOc1ccccc1CCn1c(C)ccc1C
InChIInChI=1S/C15H19NO/c1-12-8-9-13(2)16(12)11-10-14-6-4-5-7-15(14)17-3/h4-9H,10-11H2,1-3H3
InChIKeyNLGLXVSYYCOXOG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole

1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole (PubChem CID 113219800) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
PubChem CID113219800
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
SMILESCOc1ccccc1CCn1c(C)ccc1C
InChIInChI=1S/C15H19NO/c1-12-8-9-13(2)16(12)11-10-14-6-4-5-7-15(14)17-3/h4-9H,10-11H2,1-3H3
InChIKeyNLGLXVSYYCOXOG-UHFFFAOYSA-N
XLogP3.36
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106261885
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole (CID 113219800) is 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole is COc1ccccc1CCn1c(C)ccc1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole?
The InChIKey is NLGLXVSYYCOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-8-9-13(2)16(12)11-10-14-6-4-5-7-15(14)17-3/h4-9H,10-11H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole?
1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 113219800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).