3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine

C15H23NO — CID 62355607

IUPAC3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
SMILESCOc1ccc(C)cc1C1(C)CCNC1(C)C
InChIInChI=1S/C15H23NO/c1-11-6-7-13(17-5)12(10-11)15(4)8-9-16-14(15,2)3/h6-7,10,16H,8-9H2,1-5H3
InChIKeyVXTPNGWGDWTTBT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.03
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine

3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine (PubChem CID 62355607) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
PubChem CID62355607
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
SMILESCOc1ccc(C)cc1C1(C)CCNC1(C)C
InChIInChI=1S/C15H23NO/c1-11-6-7-13(17-5)12(10-11)15(4)8-9-16-14(15,2)3/h6-7,10,16H,8-9H2,1-5H3
InChIKeyVXTPNGWGDWTTBT-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-ethyl-2-(2-methoxy-5-methylphenyl)azepane
CID 79117416
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634
1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
CID 82132905
3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 43155388
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine (CID 62355607) is 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine is COc1ccc(C)cc1C1(C)CCNC1(C)C.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine?
The InChIKey is VXTPNGWGDWTTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-13(17-5)12(10-11)15(4)8-9-16-14(15,2)3/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine?
3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine is sourced from PubChem (CID 62355607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).