2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine

C13H18BrN — CID 80668518

IUPAC2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
SMILESCc1ccccc1CN1CCCC1CBr
InChIInChI=1S/C13H18BrN/c1-11-5-2-3-6-12(11)10-15-8-4-7-13(15)9-14/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyUHOMMJIMRGPURR-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.35
Rot. Bonds3

About 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine

2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine (PubChem CID 80668518) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
PubChem CID80668518
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
SMILESCc1ccccc1CN1CCCC1CBr
InChIInChI=1S/C13H18BrN/c1-11-5-2-3-6-12(11)10-15-8-4-7-13(15)9-14/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyUHOMMJIMRGPURR-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.35
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-(chloromethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 63387327
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
2-(bromomethyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 80677057
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79310129
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine (CID 80668518) is 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine is Cc1ccccc1CN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine?
The InChIKey is UHOMMJIMRGPURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-11-5-2-3-6-12(11)10-15-8-4-7-13(15)9-14/h2-3,5-6,13H,4,7-10H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine?
2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 80668518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).