2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine

C13H16F3NO — CID 117401425

IUPAC2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(6-3-7-17-12)9-4-5-11(18-2)10(8-9)13(14,15)16/h4-5,8,17H,3,6-7H2,1-2H3
InChIKeyWUIYTDHSEGKRBI-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.31
Rot. Bonds2

About 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine

2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine (PubChem CID 117401425) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
PubChem CID117401425
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(6-3-7-17-12)9-4-5-11(18-2)10(8-9)13(14,15)16/h4-5,8,17H,3,6-7H2,1-2H3
InChIKeyWUIYTDHSEGKRBI-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrrolidine
CID 117426832
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-2-methylpyrrolidine
CID 117473686
2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117361396
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351181
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351180
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405563

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine (CID 117401425) is 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine is COc1ccc(C2(C)CCCN2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine?
The InChIKey is WUIYTDHSEGKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(6-3-7-17-12)9-4-5-11(18-2)10(8-9)13(14,15)16/h4-5,8,17H,3,6-7H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine?
2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine has a molecular weight of 259.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117401425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).