2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline

C11H15FN2 — CID 82279455

IUPAC2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
SMILESCN1CCCC1c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2/c1-14-6-2-3-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,11H,2-3,6,13H2,1H3
InChIKeyWOUUDMSNYHSGMI-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.17
Rot. Bonds1

About 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline

2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline (PubChem CID 82279455) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
PubChem CID82279455
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
SMILESCN1CCCC1c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2/c1-14-6-2-3-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,11H,2-3,6,13H2,1H3
InChIKeyWOUUDMSNYHSGMI-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline 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-fluoro-5-(1-methylpyrrolidin-2-yl)aniline?
The IUPAC name of 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline (CID 82279455) is 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline?
The canonical SMILES for 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline is CN1CCCC1c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline?
The InChIKey is WOUUDMSNYHSGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14-6-2-3-11(14)8-4-5-9(12)10(13)7-8/h4-5,7,11H,2-3,6,13H2,1H3.
What are the key properties of 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline?
2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline has a molecular weight of 194.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline is sourced from PubChem (CID 82279455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).