5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine

C12H16F2N2 — CID 129068214

IUPAC5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCNC1CC(c2cc(F)ccc2F)N(C)C1
InChIInChI=1S/C12H16F2N2/c1-15-9-6-12(16(2)7-9)10-5-8(13)3-4-11(10)14/h3-5,9,12,15H,6-7H2,1-2H3
InChIKeyJFBRCXIYIDFCKA-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.93
Rot. Bonds2

About 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine

5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 129068214) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID129068214
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCNC1CC(c2cc(F)ccc2F)N(C)C1
InChIInChI=1S/C12H16F2N2/c1-15-9-6-12(16(2)7-9)10-5-8(13)3-4-11(10)14/h3-5,9,12,15H,6-7H2,1-2H3
InChIKeyJFBRCXIYIDFCKA-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine 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 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine (CID 129068214) is 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine is CNC1CC(c2cc(F)ccc2F)N(C)C1.
What is the InChIKey of 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is JFBRCXIYIDFCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-15-9-6-12(16(2)7-9)10-5-8(13)3-4-11(10)14/h3-5,9,12,15H,6-7H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine?
5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 226.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 129068214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).