2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine

C14H21NO — CID 117313031

IUPAC2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
SMILESCCOc1ccc(C)cc1C1(C)CCCN1
InChIInChI=1S/C14H21NO/c1-4-16-13-7-6-11(2)10-12(13)14(3)8-5-9-15-14/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyZDLSXBVKZAATES-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.99
Rot. Bonds3

About 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine

2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine (PubChem CID 117313031) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
PubChem CID117313031
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
SMILESCCOc1ccc(C)cc1C1(C)CCCN1
InChIInChI=1S/C14H21NO/c1-4-16-13-7-6-11(2)10-12(13)14(3)8-5-9-15-14/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyZDLSXBVKZAATES-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
CID 117449114
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688531
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-ethyl-2-(2-methoxy-5-methylphenyl)azepane
CID 79117416
1-ethoxy-2-(1-isocyanatocyclopropyl)-4-methylbenzene
CID 117309286
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405563
2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
CID 66465326
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine (CID 117313031) is 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine is CCOc1ccc(C)cc1C1(C)CCCN1.
What is the InChIKey of 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine?
The InChIKey is ZDLSXBVKZAATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-16-13-7-6-11(2)10-12(13)14(3)8-5-9-15-14/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine?
2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117313031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).