2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine

C13H16BrCl2N — CID 102785459

IUPAC2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(Cc2c(Cl)cccc2Cl)C1CBr
InChIInChI=1S/C13H16BrCl2N/c1-9-5-6-17(13(9)7-14)8-10-11(15)3-2-4-12(10)16/h2-4,9,13H,5-8H2,1H3
InChIKeyKJPRVXZWDIMHOW-UHFFFAOYSA-N
MW337.09 g/mol
LogP4.60
Rot. Bonds3

About 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine

2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine (PubChem CID 102785459) has the molecular formula C13H16BrCl2N and a molecular weight of 337.09 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
PubChem CID102785459
Molecular FormulaC13H16BrCl2N
Molecular Weight337.09 g/mol
Exact Mass334.98
IUPAC Name2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(Cc2c(Cl)cccc2Cl)C1CBr
InChIInChI=1S/C13H16BrCl2N/c1-9-5-6-17(13(9)7-14)8-10-11(15)3-2-4-12(10)16/h2-4,9,13H,5-8H2,1H3
InChIKeyKJPRVXZWDIMHOW-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.09
LogP ≤ 54.60
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-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785540
3-bromo-1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine
CID 102960502
2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 102785404
1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
CID 102785410
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785590
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
2-(bromomethyl)-3-methyl-1-(4-phenylbutyl)pyrrolidine
CID 102785255
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 102787642
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine (CID 102785459) is 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine is CC1CCN(Cc2c(Cl)cccc2Cl)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine?
The InChIKey is KJPRVXZWDIMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2N/c1-9-5-6-17(13(9)7-14)8-10-11(15)3-2-4-12(10)16/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine?
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine has a molecular weight of 337.09 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 102785459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).