1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine

C16H20BrN3 — CID 107083281

IUPAC1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3cc2CBr)C1
InChIInChI=1S/C16H20BrN3/c1-19(2)14-7-8-20(11-14)16-13(10-17)9-12-5-3-4-6-15(12)18-16/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyWGXPYGXQEZOSDE-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.27
Rot. Bonds3

About 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 107083281) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID107083281
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3cc2CBr)C1
InChIInChI=1S/C16H20BrN3/c1-19(2)14-7-8-20(11-14)16-13(10-17)9-12-5-3-4-6-15(12)18-16/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyWGXPYGXQEZOSDE-UHFFFAOYSA-N
XLogP3.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-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-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63164336
1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63786167
3-(bromomethyl)-2-(4,4-dimethylpiperidin-1-yl)quinoline
CID 107082936
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
3-(bromomethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)quinoline
CID 107084254
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
CID 107079898
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
CID 115965646
3-(bromomethyl)-2-(2,3,5-trimethylpiperidin-1-yl)quinoline
CID 107085362
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
CID 103540590
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353

Frequently Asked Questions

What is the IUPAC name of 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 107083281) is 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc3ccccc3cc2CBr)C1.
What is the InChIKey of 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WGXPYGXQEZOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-19(2)14-7-8-20(11-14)16-13(10-17)9-12-5-3-4-6-15(12)18-16/h3-6,9,14H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 334.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 107083281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).