chempirical

N-(2-(p-Bromophenoxy)ethyl)pyrrolidine

C12H16BrNOCAS 1081-73-8270.17 g/mol

Open in Covalent MOL file
BrON
Aryl halideEtherTertiary 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

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

Work with N-(2-(p-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

4-(2-(Piperidin-1-yl)ethoxy)benzaldehyde26815-04-356 % similar 4-Butoxybromobenzene39969-57-855 % similar 2-(4-Bromophenoxy)ethanol34743-88-953 % similar 1-Bromo-4-propoxybenzene39969-56-753 % similar 1-Bromo-4-(pentyloxy)benzene30752-18-253 % 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

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

Elsewhere

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