2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine

C16H25NO — CID 103433655

IUPAC2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine
SMILESCCCC1(c2ccc(C)c(C)c2OC)CCCN1
InChIInChI=1S/C16H25NO/c1-5-9-16(10-6-11-17-16)14-8-7-12(2)13(3)15(14)18-4/h7-8,17H,5-6,9-11H2,1-4H3
InChIKeyGOHKZVABDFQCTO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine

2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine (PubChem CID 103433655) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine
PubChem CID103433655
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine
SMILESCCCC1(c2ccc(C)c(C)c2OC)CCCN1
InChIInChI=1S/C16H25NO/c1-5-9-16(10-6-11-17-16)14-8-7-12(2)13(3)15(14)18-4/h7-8,17H,5-6,9-11H2,1-4H3
InChIKeyGOHKZVABDFQCTO-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-2-propylpyrrolidine
CID 66466694
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 103433658
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
CID 66465348
2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
CID 103395692
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine
CID 104515792
2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
CID 104660354
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 103434862

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine?
The IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine (CID 103433655) is 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine.
What is the SMILES notation for 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine?
The canonical SMILES for 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine is CCCC1(c2ccc(C)c(C)c2OC)CCCN1.
What is the InChIKey of 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine?
The InChIKey is GOHKZVABDFQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-16(10-6-11-17-16)14-8-7-12(2)13(3)15(14)18-4/h7-8,17H,5-6,9-11H2,1-4H3.
What are the key properties of 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine?
2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine is sourced from PubChem (CID 103433655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).