chempirical

(±)-Brompheniramine

C16H19BrN2CAS 86-22-6319.25 g/mol

Open in Covalent MOL file
NBrN
Aryl halideTertiary amine

Properties

Molecular formula
C16H19BrN2
Molar mass
319.25 g/mol
Exact mass
318.0732 Da
Melting point
below 25 °C
Boiling point
147–152 °C (at 0.5 Torr)
pKa
10.1
logP
3.93Crippen estimate
Polar surface area
16.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
86-22-6
SMILES
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
InChIKey
ZDIGNSYAACHWNL-UHFFFAOYSA-N
InChI
InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

Weigh it out

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Names and synonyms

12 names
  • 2-Pyridinepropanamine, γ-(4-bromophenyl)-N,N-dimethyl-
  • Pyridine, 2-[p-bromo-α-[2-(dimethylamino)ethyl]benzyl]-
  • γ-(4-Bromophenyl)-N,N-dimethyl-2-pyridinepropanamine
  • 2-[p-Bromo-α-(2-dimethylaminoethyl)benzyl]pyridine
  • 1-(p-Bromophenyl)-1-(2-pyridyl)-3-dimethylaminopropane
  • 3-(p-Bromophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine
  • Brompheniramine
  • Parabromdylamine
  • Bromopheniramine
  • Parabromodylamine
  • Bromphen
  • [3-(4-Bromo-phenyl)-3-pyridin-2-yl-propyl]-dimethyl-amine

Work with (±)-Brompheniramine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(±)-Brompheniramine maleate980-71-2Salt

Similar compounds

(±)-Pheniramine86-21-577 % similar Pheniramine maleate132-20-759 % similar Chlorpheniramine maleate113-92-856 % similar Dexchlorpheniramine maleate2438-32-656 % similar Carbinoxamine maleate3505-38-239 % similar 2-(4-Bromophenyl)pyriding63996-36-136 % similar 1-Bromo-4-cyclopropylbenzene1124-14-734 % similar Diphenhydramine58-73-134 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook