3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine

C8H15FN2 — CID 130604649

IUPAC3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)C1C=CCN1
InChIInChI=1S/C8H15FN2/c1-6(5-10)8(9)7-3-2-4-11-7/h2-3,6-8,11H,4-5,10H2,1H3
InChIKeyRVGCJWWEQNBOAS-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.45
Rot. Bonds3

About 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine

3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine (PubChem CID 130604649) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine
PubChem CID130604649
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)C1C=CCN1
InChIInChI=1S/C8H15FN2/c1-6(5-10)8(9)7-3-2-4-11-7/h2-3,6-8,11H,4-5,10H2,1H3
InChIKeyRVGCJWWEQNBOAS-UHFFFAOYSA-N
XLogP0.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-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 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine (CID 130604649) is 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine is CC(CN)C(F)C1C=CCN1.
What is the InChIKey of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine?
The InChIKey is RVGCJWWEQNBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-6(5-10)8(9)7-3-2-4-11-7/h2-3,6-8,11H,4-5,10H2,1H3.
What are the key properties of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine?
3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine has a molecular weight of 158.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 130604649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).