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Molecule record

diphenhydramine

C17H21NO

255.35 g/mol

2D structure for diphenhydramine

Molecular properties

Formula
C17H21NO
Molar mass
255.35 g·mol−1
Exact mass
255.1623 Da
8
0
2
12.50 Ų
3.3 (PubChem computed XLogP3-AA descriptor)
CAS
58-73-1
PubChem CID
3100

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring
Ether

Physical properties

PropertyValueConditionsSource
Logp3.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 58-73-1
  • Alledryl
  • Antistominum
  • Baramine
  • Benylan
  • Benzhydramine
  • Benzhydraminum
  • Benzhydroamina
Show all 23 synonyms
  • Dermodrin
  • Desentol
  • Dibondrin
  • Difenhidramina
  • Difenidramina
  • Dihidral
  • Diphantine
  • Diphenhydraminum
  • Diphenylhydramine
  • Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-
  • Histaxin
  • O-Benzhydryldimethylaminoethanol
  • Probedryl
  • Restamin
  • Rigidyl

Structure identifiers

Canonical SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
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
InChIKey
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
PubChem CID
3100

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for diphenhydramine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for diphenhydramine; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record