2-(4-Bromophenyl)pyrrolidine

C₁₀H₁₂BrNCAS 383127-22-8226.12 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₀H₁₂BrN
Molar mass: 226.12 g/mol
Exact mass: 225.0153 Da
logP: 2.87Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H314 Causes severe skin burns and eye damage25% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

383127-22-8

SMILES

C1CC(NC1)C2=CC=C(C=C2)Br

InChIKey

HIJZBROSVFKSCP-UHFFFAOYSA-N

InChI

InChI=1S/C10H12BrN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2

Weigh it out

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

Names and synonyms

1 names

2-(4-Bromo-phenyl)-pyrrolidine

Work with 2-(4-Bromophenyl)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-Phenylpyrrolidine1006-64-062 % similar (R)-2-(4-Fluorophenyl)pyrrolidine298690-89-861 % similar (S)-2-(4-Fluorophenyl)pyrrolidine298690-90-161 % similar 2-(4-Chlorophenyl)pyrrolidine38944-14-861 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-961 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-458 % similar 2-[4-(Trifluoromethyl)phenyl]pyrrolidine298690-84-356 % similar 2-(4-Methoxy-phenyl)-pyrrolidine74190-66-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Bromophenyl)pyrrolidine129540-24-5

Elsewhere

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