Orphenadrine Hydrochloride

C18H24ClNO — CID 9568

IUPACN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.Cl
InChIInChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKeyUQZKYYIKWZOKKD-UHFFFAOYSA-N
MW305.80 g/mol
LogP—
Rot. Bonds6

About Orphenadrine Hydrochloride

Orphenadrine Hydrochloride (PubChem CID 9568) has the molecular formula C18H24ClNO and a molecular weight of 305.80 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameOrphenadrine Hydrochloride
PubChem CID9568
Molecular FormulaC18H24ClNO
Molecular Weight305.80 g/mol
Exact Mass305.15
IUPAC NameN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.Cl
InChIInChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKeyUQZKYYIKWZOKKD-UHFFFAOYSA-N
XLogP—
TPSA12.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity260

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3100
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CID 4601
Bromodiphenhydramine
CID 2444
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CID 3103
Nefopam
CID 4450
Chlorphenoxamine
CID 6475
Diphenylpyraline Hydrochloride
CID 66063
Nefopam Hydrochloride
CID 155290
Bromodiphenhydramine Hydrochloride
CID 519514
Embramine
CID 19105
N,N-Diethyl-2-(4-methylbenzyloxy)ethylamine hydrochloride
CID 213029

Frequently Asked Questions

What is the IUPAC name of Orphenadrine Hydrochloride?
The IUPAC name of Orphenadrine Hydrochloride (CID 9568) is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride.
What is the SMILES notation for Orphenadrine Hydrochloride?
The canonical SMILES for Orphenadrine Hydrochloride is CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.Cl.
What is the InChIKey of Orphenadrine Hydrochloride?
The InChIKey is UQZKYYIKWZOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H.
What are the key properties of Orphenadrine Hydrochloride?
Orphenadrine Hydrochloride has a molecular weight of 305.80 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 Orphenadrine Hydrochloride is sourced from PubChem (CID 9568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).