1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine

C13H18F2N2 — CID 43315556

IUPAC1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2c(F)cccc2F)C1
InChIInChI=1S/C13H18F2N2/c1-2-7-16-10-6-8-17(9-10)13-11(14)4-3-5-12(13)15/h3-5,10,16H,2,6-9H2,1H3
InChIKeyWTXLPKFGXQPKTN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine

1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine (PubChem CID 43315556) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
PubChem CID43315556
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2c(F)cccc2F)C1
InChIInChI=1S/C13H18F2N2/c1-2-7-16-10-6-8-17(9-10)13-11(14)4-3-5-12(13)15/h3-5,10,16H,2,6-9H2,1H3
InChIKeyWTXLPKFGXQPKTN-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-N-propylpyrrolidin-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 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine (CID 43315556) is 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is WTXLPKFGXQPKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-7-16-10-6-8-17(9-10)13-11(14)4-3-5-12(13)15/h3-5,10,16H,2,6-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine?
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 240.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 43315556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).