1-[2-(4-Bromophenoxy)ethyl]pyrrolidine

C₁₂H₁₆BrNOCAS 1081-73-8270.17 g/mol

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Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₆BrNO
Molar mass: 270.17 g/mol
Exact mass: 269.0415 Da
Boiling point: 119–123 °C (at 2.5 Torr)
logP: 2.92Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

1081-73-8

SMILES

Brc1ccc(OCCN2CCCC2)cc1

InChIKey

YDWKSSWZGXRQET-UHFFFAOYSA-N

InChI

InChI=1S/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2

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Names and synonyms

3 names

Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]-
Pyrrolidine, 1-[2-(p-bromophenoxy)ethyl]-
4-[2-Pyrrolidinoethoxy]phenyl bromide

Work with 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Bromophenoxy)ethanol34743-88-953 % similar N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride223251-25-053 % similar 4-Bromophenetole588-96-552 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-351 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-948 % similar Pramoxine hydrochloride637-58-145 % similar 1-(Benzyloxy)-4-bromobenzene6793-92-643 % similar Bde 152050-47-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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