1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

C11H13F3N2O — CID 43315507

IUPAC1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
SMILESNC1CCN(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)17-10-3-1-2-9(6-10)16-5-4-8(15)7-16/h1-3,6,8H,4-5,7,15H2
InChIKeyQNJREWJCDASCTQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.12
Rot. Bonds2

About 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine (PubChem CID 43315507) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
PubChem CID43315507
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
SMILESNC1CCN(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)17-10-3-1-2-9(6-10)16-5-4-8(15)7-16/h1-3,6,8H,4-5,7,15H2
InChIKeyQNJREWJCDASCTQ-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-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-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine (CID 43315507) is 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine is NC1CCN(c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The InChIKey is QNJREWJCDASCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-3-1-2-9(6-10)16-5-4-8(15)7-16/h1-3,6,8H,4-5,7,15H2.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine has a molecular weight of 246.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 43315507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).