2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine

C13H19FN2 — CID 117318641

IUPAC2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1c(F)cccc1N1CCCC1
InChIInChI=1S/C13H19FN2/c1-13(2,15)12-10(14)6-5-7-11(12)16-8-3-4-9-16/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyAYKRWWDIEMWFBY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.62
Rot. Bonds2

About 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine

2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine (PubChem CID 117318641) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine
PubChem CID117318641
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1c(F)cccc1N1CCCC1
InChIInChI=1S/C13H19FN2/c1-13(2,15)12-10(14)6-5-7-11(12)16-8-3-4-9-16/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyAYKRWWDIEMWFBY-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 71651474
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
CID 82291720
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
CID 117288826
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
CID 68737589
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
The IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine (CID 117318641) is 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine is CC(C)(N)c1c(F)cccc1N1CCCC1.
What is the InChIKey of 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
The InChIKey is AYKRWWDIEMWFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(2,15)12-10(14)6-5-7-11(12)16-8-3-4-9-16/h5-7H,3-4,8-9,15H2,1-2H3.
What are the key properties of 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine?
2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine is sourced from PubChem (CID 117318641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).