1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole

C14H17NO — CID 82078644

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
SMILESCc1cccc(C)c1OCCn1cccc1
InChIInChI=1S/C14H17NO/c1-12-6-5-7-13(2)14(12)16-11-10-15-8-3-4-9-15/h3-9H,10-11H2,1-2H3
InChIKeyVTBUZBSQWQFVEO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole

1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole (PubChem CID 82078644) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
PubChem CID82078644
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
SMILESCc1cccc(C)c1OCCn1cccc1
InChIInChI=1S/C14H17NO/c1-12-6-5-7-13(2)14(12)16-11-10-15-8-3-4-9-15/h3-9H,10-11H2,1-2H3
InChIKeyVTBUZBSQWQFVEO-UHFFFAOYSA-N
XLogP3.18
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-2-propoxybenzene
CID 579040
2-(2,6-dimethylphenoxy)ethyl-trimethylazanium bromide
CID 12633
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-decoxy-1,3-dimethylbenzene
CID 83057478
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
(3aR,6aS)-5-[2-(2,6-dimethylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120967173
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
CID 163214352
2-(2,6-dimethylphenoxy)ethylhydrazine
CID 82125287
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole (CID 82078644) is 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole is Cc1cccc(C)c1OCCn1cccc1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
The InChIKey is VTBUZBSQWQFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-6-5-7-13(2)14(12)16-11-10-15-8-3-4-9-15/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole is sourced from PubChem (CID 82078644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).