chempirical

Diphenhydramine

C17H21NOCAS 58-73-1255.36 g/mol

Open in Covalent MOL file
NO
EtherTertiary amine

Properties

Molecular formula
C17H21NO
Molar mass
255.36 g/mol
Exact mass
255.1623 Da
Melting point
168 °C
Boiling point
150–165 °C (at 2 Torr)
pKa
8.98
logP
3.35Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
58-73-1
SMILES
CN(C)CCOC(c1ccccc1)c1ccccc1
InChIKey
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
InChI
InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-
  • Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-
  • 2-(Diphenylmethoxy)-N,N-dimethylethanamine
  • O-Benzhydryldimethylaminoethanol
  • 2-(Benzhydryloxy)-N,N-dimethylethylamine
  • β-Dimethylaminoethanol diphenylmethyl ether
  • α-(2-Dimethylaminoethoxy)diphenylmethane
  • β-Dimethylaminoethylbenzhydrylether
  • 2-(Diphenylmethoxy)-N,N-dimethylethylamine
  • Probedryl
  • N-[2-(Diphenylmethoxy)ethyl]-N,N-dimethylamine
  • Benzhydramine
  • DPH
  • Dimedrol base
  • FAR 90X2
  • NSC 665800
  • N,N-Dimethyl-2-(diphenylmethoxy)ethylamine
  • 2-Benzhydryloxy-N,N-dimethylethanamine
  • 2-(Benzhydryloxy)-N,N-dimethylethanamine

Work with Diphenhydramine

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.

Diphenhydramine hydrochloride147-24-0Salt Diphenhydramine citrate88637-37-0Salt

Similar compounds

Orphenadrine hydrochloride341-69-570 % similar Nefopam13669-70-054 % similar (±)-Nefopam hydrochloride23327-57-350 % similar Cloperastine3703-76-250 % similar Orphenadrine citrate4682-36-449 % similar Dimenhydrinate523-87-548 % similar Cloperastine hydrochloride14984-68-047 % similar (±)-Pheniramine86-21-545 % similar

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

Same formula

4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine43229-65-8 (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol78603-95-9 Atomoxetine83015-26-3 (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol86695-06-9

Elsewhere

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