Diphenhydramine Hydrochloride

C17H22ClNO — CID 8980

IUPAC2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
InChIInChI=1S/C17H21NO.ClH/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;1H
InChIKeyPCHPORCSPXIHLZ-UHFFFAOYSA-N
MW291.80 g/mol
LogP—
Rot. Bonds6

About Diphenhydramine Hydrochloride

Diphenhydramine Hydrochloride (PubChem CID 8980) has the molecular formula C17H22ClNO and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound NameDiphenhydramine Hydrochloride
PubChem CID8980
Molecular FormulaC17H22ClNO
Molecular Weight291.80 g/mol
Exact Mass291.14
IUPAC Name2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
InChIInChI=1S/C17H21NO.ClH/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;1H
InChIKeyPCHPORCSPXIHLZ-UHFFFAOYSA-N
XLogP—
TPSA12.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenhydramine
CID 3100
Orphenadrine
CID 4601
Bromodiphenhydramine
CID 2444
Diphenylpyraline
CID 3103
Phendimetrazine
CID 30487
Orphenadrine Hydrochloride
CID 9568
Chlorphenoxamine
CID 6475
Diphenylpyraline Hydrochloride
CID 66063
Nefopam Hydrochloride
CID 155290
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
Bromodiphenhydramine Hydrochloride
CID 519514
Embramine
CID 19105

Frequently Asked Questions

What is the IUPAC name of Diphenhydramine Hydrochloride?
The IUPAC name of Diphenhydramine Hydrochloride (CID 8980) is 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for Diphenhydramine Hydrochloride?
The canonical SMILES for Diphenhydramine Hydrochloride is CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl.
What is the InChIKey of Diphenhydramine Hydrochloride?
The InChIKey is PCHPORCSPXIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/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;1H.
What are the key properties of Diphenhydramine Hydrochloride?
Diphenhydramine Hydrochloride has a molecular weight of 291.80 g/mol, XLogP of not available, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Diphenhydramine Hydrochloride is sourced from PubChem (CID 8980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).