2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine

C12H15BrClN — CID 80676168

IUPAC2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
SMILESClc1ccc(CN2CCCC2CBr)cc1
InChIInChI=1S/C12H15BrClN/c13-8-12-2-1-7-15(12)9-10-3-5-11(14)6-4-10/h3-6,12H,1-2,7-9H2
InChIKeySEQRNWQILFYLGW-UHFFFAOYSA-N
MW288.62 g/mol
LogP3.70
Rot. Bonds3

About 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine

2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine (PubChem CID 80676168) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
PubChem CID80676168
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
SMILESClc1ccc(CN2CCCC2CBr)cc1
InChIInChI=1S/C12H15BrClN/c13-8-12-2-1-7-15(12)9-10-3-5-11(14)6-4-10/h3-6,12H,1-2,7-9H2
InChIKeySEQRNWQILFYLGW-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.70
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-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
CID 103041371
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-[(3-bromo-4-fluorophenyl)methyl]-2-(bromomethyl)azepane
CID 116638475
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine
CID 80674675
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine (CID 80676168) is 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine is Clc1ccc(CN2CCCC2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine?
The InChIKey is SEQRNWQILFYLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c13-8-12-2-1-7-15(12)9-10-3-5-11(14)6-4-10/h3-6,12H,1-2,7-9H2.
What are the key properties of 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine?
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine has a molecular weight of 288.62 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 80676168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).