2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine

C16H24BrN — CID 112747825

IUPAC2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CN2CCCC2CCBr)c(C)c1
InChIInChI=1S/C16H24BrN/c1-12-9-13(2)16(14(3)10-12)11-18-8-4-5-15(18)6-7-17/h9-10,15H,4-8,11H2,1-3H3
InChIKeyUIIRMOADRLVTPO-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.36
Rot. Bonds4

About 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine

2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (PubChem CID 112747825) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
PubChem CID112747825
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CN2CCCC2CCBr)c(C)c1
InChIInChI=1S/C16H24BrN/c1-12-9-13(2)16(14(3)10-12)11-18-8-4-5-15(18)6-7-17/h9-10,15H,4-8,11H2,1-3H3
InChIKeyUIIRMOADRLVTPO-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.36
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

2-(bromomethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 80677057
[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927229
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581254
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
2-(2-bromoethyl)-1-[(2-chloro-4-methylphenyl)methyl]piperidine
CID 106869853
3-bromo-1-[(2,4,6-trimethylphenyl)methyl]piperidine
CID 80680558
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
5-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 80690501
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776
2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80670897

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (CID 112747825) is 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is Cc1cc(C)c(CN2CCCC2CCBr)c(C)c1.
What is the InChIKey of 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is UIIRMOADRLVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-9-13(2)16(14(3)10-12)11-18-8-4-5-15(18)6-7-17/h9-10,15H,4-8,11H2,1-3H3.
What are the key properties of 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 310.28 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 112747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).