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Orphenadrine

C18H23NO — CID 4601

💊View drug profile → orphenadrine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C18H23NO/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
InChIKeyQVYRGXJJSLMXQH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds6

About Orphenadrine

Orphenadrine (PubChem CID 4601) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound NameOrphenadrine
PubChem CID4601
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
SMILESCc1ccccc1C(OCCN(C)C)c1ccccc1
InChIInChI=1S/C18H23NO/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
InChIKeyQVYRGXJJSLMXQH-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
1,1-dideuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2,2-dideuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;1,1-dideuterio-N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;2,2-dideuterio-N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;1,1-dideuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;2,2-dideuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;N,N-dimethyl-2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]ethanamine;2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine;2-[phenyl-[2-(trideuteriomethyl)phenyl]methoxy]-N,N-bis(trideuteriomethyl)ethanamine;1,1,2,2-tetradeuterio-N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;1,1,2,2-tetradeuterio-2-[(2-methylphenyl)-phenylmethoxy]-N,N-bis(trideuteriomethyl)ethanamine
CID 159294265
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-[(2-fluorophenyl)-(4-fluorophenyl)methoxy]-N,N-dimethylethanamine
CID 91824497
2-(3-benzoylphenyl)propanoic acid;N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 70454559

Frequently Asked Questions

What is the IUPAC name of Orphenadrine?
The IUPAC name of Orphenadrine (CID 4601) is N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine.
What is the SMILES notation for Orphenadrine?
The canonical SMILES for Orphenadrine is Cc1ccccc1C(OCCN(C)C)c1ccccc1.
What is the InChIKey of Orphenadrine?
The InChIKey is QVYRGXJJSLMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/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.
What are the key properties of Orphenadrine?
Orphenadrine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Orphenadrine is sourced from PubChem (CID 4601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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