2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine

C12H17FN2O — CID 170886572

IUPAC2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine
SMILESNCCc1ccc(OC2CCNC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-7-9(3-5-14)1-2-12(11)16-10-4-6-15-8-10/h1-2,7,10,15H,3-6,8,14H2
InChIKeyKWWQXWCZTYFPLM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.07
Rot. Bonds4

About 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine

2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine (PubChem CID 170886572) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine
PubChem CID170886572
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine
SMILESNCCc1ccc(OC2CCNC2)c(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-7-9(3-5-14)1-2-12(11)16-10-4-6-15-8-10/h1-2,7,10,15H,3-6,8,14H2
InChIKeyKWWQXWCZTYFPLM-UHFFFAOYSA-N
XLogP1.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine 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-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine (CID 170886572) is 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine is NCCc1ccc(OC2CCNC2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine?
The InChIKey is KWWQXWCZTYFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-7-9(3-5-14)1-2-12(11)16-10-4-6-15-8-10/h1-2,7,10,15H,3-6,8,14H2.
What are the key properties of 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine?
2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine has a molecular weight of 224.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine is sourced from PubChem (CID 170886572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).