3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine

C13H16F3NO — CID 84806155

IUPAC3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccc(CC2CCNC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-18-11-3-2-10(6-9-4-5-17-8-9)12(7-11)13(14,15)16/h2-3,7,9,17H,4-6,8H2,1H3
InChIKeyAGRMXYUFUNREOH-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.87
Rot. Bonds3

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

3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 84806155) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID84806155
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccc(CC2CCNC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-18-11-3-2-10(6-9-4-5-17-8-9)12(7-11)13(14,15)16/h2-3,7,9,17H,4-6,8H2,1H3
InChIKeyAGRMXYUFUNREOH-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine 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

5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 117488368
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
CID 162434887
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102747174
[4-methoxy-2-(trifluoromethyl)phenyl]methanethiol
CID 162580315
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 84806155) is 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine is COc1ccc(CC2CCNC2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is AGRMXYUFUNREOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-18-11-3-2-10(6-9-4-5-17-8-9)12(7-11)13(14,15)16/h2-3,7,9,17H,4-6,8H2,1H3.
What are the key properties of 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 259.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 84806155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).