Basic information
- CAS
2914-77-4- Standard SMILES
COc1cccc(C2(O)CCCCC2CN(C)C)c1- InChIKey
TVYLLZQTGLZFBW-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Overview
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol is a tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. It is a tertiary alcohol, an aromatic ether and a tertiary amino compound. It is functionally related to a cyclohexanol.
Names & identifiers
- Preferred name
- 2-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
- IUPAC
- 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
- English name
- 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
- Molecular formula
- C16H25NO2
- Molecular weight
- 263.38
Names & synonyms
2914-77-42-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanolCHEBI:757222-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanolRefChem:1060573Ultram2-[(DIMETHYLAMINO)METHYL]-1-(3-METHOXYPHENYL)CYCLOHEXAN-1-OL2-Dimethylaminomethyl-1-(m-methoxyphenyl)cyclohexanolcis,trans-(+-)-L 201Cyclohexanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-NIOSH/GV8924900GV89249000
Show more names
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)-1-cyclohexanolTramadol EP Impurity AQ: What is Tramadol EP Impurity A Q: What is the CAS Number of Tramadol EP Impurity A Q: What is the storage condition of Tramadol EP Impurity A Q: What are the applications of Tramadol EP Impurity A
181289-58-72-((Dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexan-1-ol(1R,2S)-2-[(Dimethylamino)Methyl]-1-(3-Methoxyphenyl)Cyclohexanol HydrochlorideCyclohexanol, 2-((dimethylamino)methyl)-1-(m-methoxyphenyl)-, (+-)-cis,trans-EINECS 220-831-4AdolontaMaxitramTilodol
Database identifiers
- CAS
2914-77-4- PubChem CID
- 5523
- DTXSID
DTXSID00860388- ChEBI
CHEBI:75722- EC Number
- 220-831-4
- Nikkaji
- J48.558F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 406.62 °C · 406.62°C (rough estimate)
- Density
- 0.9903 · 0.9903 (rough estimate)
- refractive index
- 1.4909 · 1.4909 (estimate)
- pka
- 14.47 · 14.47±0.40(Predicted)
- FDA UNII
- 39 J1LGJ30J · 39J1LGJ30J
Chemistry & industry
Applications
Uses1-(m-Methoxyphenyl)-2-[(dimethylamino)methyl]cyclohexanol-d6 is an intermediate in the synthesis of Tramadol (T712500), an analgesic.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Additional notes
DefinitionChEBI: A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively.
Related reactions
28 records
Compound notes
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