1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine

C14H19Br2N — CID 107084963

IUPAC1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1c1cc(Br)ccc1CBr
InChIInChI=1S/C14H19Br2N/c1-3-13-7-4-10(2)17(13)14-8-12(16)6-5-11(14)9-15/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeyQWGLAJHZTGWYDQ-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.11
Rot. Bonds3

About 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine

1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine (PubChem CID 107084963) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine
PubChem CID107084963
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1c1cc(Br)ccc1CBr
InChIInChI=1S/C14H19Br2N/c1-3-13-7-4-10(2)17(13)14-8-12(16)6-5-11(14)9-15/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeyQWGLAJHZTGWYDQ-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.11
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

4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218584
1-[4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanone
CID 83218859
N-[1-[4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 83220102
1-[4-(bromomethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 107084955
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227316
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethyl-5-methylpyrrolidine
CID 107084954
(2R,6S)-4-[5-bromo-2-(bromomethyl)phenyl]-2,6-dimethylmorpholine
CID 107085389
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 107926317
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol
CID 114054503
2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218413

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine (CID 107084963) is 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine is CCC1CCC(C)N1c1cc(Br)ccc1CBr.
What is the InChIKey of 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine?
The InChIKey is QWGLAJHZTGWYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-3-13-7-4-10(2)17(13)14-8-12(16)6-5-11(14)9-15/h5-6,8,10,13H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine?
1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine has a molecular weight of 361.12 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(bromomethyl)phenyl]-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 107084963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).