2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide

C13H18Br3N — CID 14330430

IUPAC2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide
SMILESBr.Brc1ccccc1C(Br)CCC1CCCN1
InChIInChI=1S/C13H17Br2N.BrH/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10;/h1-2,5-6,10,13,16H,3-4,7-9H2;1H
InChIKeyQHVROKDZZGNZAY-UHFFFAOYSA-N
MW428.01 g/mol
LogP5.00
Rot. Bonds4

About 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide

2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide (PubChem CID 14330430) has the molecular formula C13H18Br3N and a molecular weight of 428.01 g/mol. Its IUPAC name is 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide.

Molecular Properties

Compound Name2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide
PubChem CID14330430
Molecular FormulaC13H18Br3N
Molecular Weight428.01 g/mol
Exact Mass424.90
IUPAC Name2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide
SMILESBr.Brc1ccccc1C(Br)CCC1CCCN1
InChIInChI=1S/C13H17Br2N.BrH/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10;/h1-2,5-6,10,13,16H,3-4,7-9H2;1H
InChIKeyQHVROKDZZGNZAY-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.01
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
1-bromo-2-[1-bromo-3-[3-bromo-3-(2-bromophenyl)propoxy]propyl]benzene
CID 141129740
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide?
The IUPAC name of 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide (CID 14330430) is 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide.
What is the SMILES notation for 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide?
The canonical SMILES for 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide is Br.Brc1ccccc1C(Br)CCC1CCCN1.
What is the InChIKey of 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide?
The InChIKey is QHVROKDZZGNZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N.BrH/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10;/h1-2,5-6,10,13,16H,3-4,7-9H2;1H.
What are the key properties of 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide?
2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide has a molecular weight of 428.01 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-3-(2-bromophenyl)propyl]pyrrolidine;hydrobromide is sourced from PubChem (CID 14330430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).