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3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol

3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol structure

CAS No:
73986-53-5
Formula:
C15H23NO2
Chemical Name:
3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Synonyms:
Phenol,3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-;3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Categories:
Flavors and Fragrances > Synthetic Fragrances

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3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol Basic Attributes

Molecular Weight：

249.35 g/mol

Exact Mass：

249.35

Characteristics

PSA：

43.7 Å²

Collision Cross Section：

157.4 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Drug Information

MeSH：

Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

Metabolism/Metabolites：

O-desmethyl-tramadol has known human metabolites that include (2S,3S,4S,5R,6S)-6-[3-[(1R,2R)-2-[(Dimethylazaniumyl)methyl]-1-hydroxycyclohexyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate.

MeSH Entry Terms：

O-demethyl tramadol

3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol Use and Manufacturing

Use Classification：

Pharmaceuticals -> Transformation products

Computed Properties

Molecular Weight:249.35
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:249.172878976
Monoisotopic Mass:249.172878976
Topological Polar Surface Area:43.7
Heavy Atom Count:18
Complexity:269
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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