1-benzyl-3-bromo-2,2-dimethylpyrrolidine

C13H18BrN — CID 130979463

IUPAC1-benzyl-3-bromo-2,2-dimethylpyrrolidine
SMILESCC1(C)C(Br)CCN1Cc1ccccc1
InChIInChI=1S/C13H18BrN/c1-13(2)12(14)8-9-15(13)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyGCSKXUFXZSQPAM-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.43
Rot. Bonds2

About 1-benzyl-3-bromo-2,2-dimethylpyrrolidine

1-benzyl-3-bromo-2,2-dimethylpyrrolidine (PubChem CID 130979463) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-benzyl-3-bromo-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-bromo-2,2-dimethylpyrrolidine
PubChem CID130979463
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-benzyl-3-bromo-2,2-dimethylpyrrolidine
SMILESCC1(C)C(Br)CCN1Cc1ccccc1
InChIInChI=1S/C13H18BrN/c1-13(2)12(14)8-9-15(13)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyGCSKXUFXZSQPAM-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-2,2-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 130735019
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 83851242
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
1,3-dibenzyl-2,2-dimethylpiperidin-4-one
CID 146657823
(2R,4R)-1-benzyl-4-bromo-2-methyl-2-phenylpyrrolidine
CID 10892860
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylpyrrolidine
CID 130831781
CID 86042658
CID 86042658
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-2,2-dimethylpyrrolidine?
The IUPAC name of 1-benzyl-3-bromo-2,2-dimethylpyrrolidine (CID 130979463) is 1-benzyl-3-bromo-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-benzyl-3-bromo-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-benzyl-3-bromo-2,2-dimethylpyrrolidine is CC1(C)C(Br)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-bromo-2,2-dimethylpyrrolidine?
The InChIKey is GCSKXUFXZSQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(2)12(14)8-9-15(13)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-3-bromo-2,2-dimethylpyrrolidine?
1-benzyl-3-bromo-2,2-dimethylpyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-2,2-dimethylpyrrolidine is sourced from PubChem (CID 130979463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).