2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine

C11H22BrNO — CID 106457738

IUPAC2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
SMILESCC(C)COCCN1CCCC1CBr
InChIInChI=1S/C11H22BrNO/c1-10(2)9-14-7-6-13-5-3-4-11(13)8-12/h10-11H,3-9H2,1-2H3
InChIKeyMIBFCJQCQXDGLI-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds6

About 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine

2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine (PubChem CID 106457738) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
PubChem CID106457738
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
SMILESCC(C)COCCN1CCCC1CBr
InChIInChI=1S/C11H22BrNO/c1-10(2)9-14-7-6-13-5-3-4-11(13)8-12/h10-11H,3-9H2,1-2H3
InChIKeyMIBFCJQCQXDGLI-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
CID 106455021
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457903
2-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine (CID 106457738) is 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine is CC(C)COCCN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
The InChIKey is MIBFCJQCQXDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(2)9-14-7-6-13-5-3-4-11(13)8-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine is sourced from PubChem (CID 106457738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).