5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine

C14H20F2N2 — CID 58386315

IUPAC5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCNC1CC(c2cc(F)ccc2F)N(C(C)C)C1
InChIInChI=1S/C14H20F2N2/c1-9(2)18-8-11(17-3)7-14(18)12-6-10(15)4-5-13(12)16/h4-6,9,11,14,17H,7-8H2,1-3H3
InChIKeyKSCJQOXPHHCYEN-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.71
Rot. Bonds3

About 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine

5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 58386315) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID58386315
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCNC1CC(c2cc(F)ccc2F)N(C(C)C)C1
InChIInChI=1S/C14H20F2N2/c1-9(2)18-8-11(17-3)7-14(18)12-6-10(15)4-5-13(12)16/h4-6,9,11,14,17H,7-8H2,1-3H3
InChIKeyKSCJQOXPHHCYEN-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-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-methyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine (CID 58386315) is 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine is CNC1CC(c2cc(F)ccc2F)N(C(C)C)C1.
What is the InChIKey of 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KSCJQOXPHHCYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9(2)18-8-11(17-3)7-14(18)12-6-10(15)4-5-13(12)16/h4-6,9,11,14,17H,7-8H2,1-3H3.
What are the key properties of 5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
5-(2,5-difluorophenyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.71, 3 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-methyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 58386315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).