2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine

C13H18FN — CID 66465325

IUPAC2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
SMILESCCC1(c2ccc(F)c(C)c2)CCCN1
InChIInChI=1S/C13H18FN/c1-3-13(7-4-8-15-13)11-5-6-12(14)10(2)9-11/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyBCFJBQQCIGGCKH-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.12
Rot. Bonds2

About 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine

2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine (PubChem CID 66465325) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
PubChem CID66465325
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
SMILESCCC1(c2ccc(F)c(C)c2)CCCN1
InChIInChI=1S/C13H18FN/c1-3-13(7-4-8-15-13)11-5-6-12(14)10(2)9-11/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyBCFJBQQCIGGCKH-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine?
The IUPAC name of 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine (CID 66465325) is 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine is CCC1(c2ccc(F)c(C)c2)CCCN1.
What is the InChIKey of 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine?
The InChIKey is BCFJBQQCIGGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-13(7-4-8-15-13)11-5-6-12(14)10(2)9-11/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine?
2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 66465325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).