4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine

C12H15Br2N — CID 130992812

IUPAC4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine
SMILESCC1CC(Br)CN1Cc1cccc(Br)c1
InChIInChI=1S/C12H15Br2N/c1-9-5-12(14)8-15(9)7-10-3-2-4-11(13)6-10/h2-4,6,9,12H,5,7-8H2,1H3
InChIKeyATHMAZNRTARGHW-UHFFFAOYSA-N
MW333.07 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine

4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine (PubChem CID 130992812) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine
PubChem CID130992812
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC Name4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine
SMILESCC1CC(Br)CN1Cc1cccc(Br)c1
InChIInChI=1S/C12H15Br2N/c1-9-5-12(14)8-15(9)7-10-3-2-4-11(13)6-10/h2-4,6,9,12H,5,7-8H2,1H3
InChIKeyATHMAZNRTARGHW-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 53.81
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-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 54976240
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
2-[(3-bromophenyl)methyl]-2-azabicyclo[2.1.1]hexane
CID 84707605
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
4-[(3-bromophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66074859
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 59017825
(2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-methylsulfonylpiperazine
CID 169409860
1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine (CID 130992812) is 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine is CC1CC(Br)CN1Cc1cccc(Br)c1.
What is the InChIKey of 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is ATHMAZNRTARGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N/c1-9-5-12(14)8-15(9)7-10-3-2-4-11(13)6-10/h2-4,6,9,12H,5,7-8H2,1H3.
What are the key properties of 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine?
4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine has a molecular weight of 333.07 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 130992812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).