2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine

C13H16BrCl2N — CID 102785540

IUPAC2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(Cc2ccc(Cl)c(Cl)c2)C1CBr
InChIInChI=1S/C13H16BrCl2N/c1-9-4-5-17(13(9)7-14)8-10-2-3-11(15)12(16)6-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyUFGILQCOZITDDH-UHFFFAOYSA-N
MW337.09 g/mol
LogP4.60
Rot. Bonds3

About 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine

2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine (PubChem CID 102785540) has the molecular formula C13H16BrCl2N and a molecular weight of 337.09 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
PubChem CID102785540
Molecular FormulaC13H16BrCl2N
Molecular Weight337.09 g/mol
Exact Mass334.98
IUPAC Name2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(Cc2ccc(Cl)c(Cl)c2)C1CBr
InChIInChI=1S/C13H16BrCl2N/c1-9-4-5-17(13(9)7-14)8-10-2-3-11(15)12(16)6-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyUFGILQCOZITDDH-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

[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
2-(bromomethyl)-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 102785404
2-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpyrrolidine
CID 102785410
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784435
1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
6-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]quinoline
CID 102784654
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787029

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine (CID 102785540) is 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine is CC1CCN(Cc2ccc(Cl)c(Cl)c2)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine?
The InChIKey is UFGILQCOZITDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2N/c1-9-4-5-17(13(9)7-14)8-10-2-3-11(15)12(16)6-10/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine?
2-(bromomethyl)-1-[(3,4-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-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 102785540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).