1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine

C14H19BrFN — CID 107084260

IUPAC1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1c1ccc(CBr)cc1F
InChIInChI=1S/C14H19BrFN/c1-10(2)13-4-3-7-17(13)14-6-5-11(9-15)8-12(14)16/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeyHSVAJYKJWMACIU-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.35
Rot. Bonds3

About 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine

1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine (PubChem CID 107084260) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine
PubChem CID107084260
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1c1ccc(CBr)cc1F
InChIInChI=1S/C14H19BrFN/c1-10(2)13-4-3-7-17(13)14-6-5-11(9-15)8-12(14)16/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeyHSVAJYKJWMACIU-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine 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-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
1-[2-(bromomethyl)phenyl]-2-propan-2-ylpyrrolidine
CID 107084258
2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 81165721
4-bromo-5-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 116736061
1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine
CID 107080540
4-[4-(bromomethyl)-2-fluorophenyl]-3-methylthiomorpholine
CID 107083861
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
2-[4-(bromomethyl)-2-fluorophenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 107084819
N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058827
N-[[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 81149874
2-[4-(2,3-dimethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 63783591
1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine (CID 107084260) is 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine is CC(C)C1CCCN1c1ccc(CBr)cc1F.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine?
The InChIKey is HSVAJYKJWMACIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10(2)13-4-3-7-17(13)14-6-5-11(9-15)8-12(14)16/h5-6,8,10,13H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine?
1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine has a molecular weight of 300.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 107084260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).