(2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
Completing data — refresh the page later to see the latest
Basic information
- CAS
175590-76-8- Standard SMILES
CC[C@](O)(c1cccc(OC)c1)[C@H](C)CN(C)C- InChIKey
PZNRRUTVGXCKFC-IUODEOHRSA-N- Molecular formula
- C15H25NO2
- Average molar mass
- 251.36 g/mol
- Monoisotopic mass
- 251.18852904
Names & identifiers
- Preferred name
- (2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
- IUPAC
- (2R,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
- English name
- (alphaR)-rel-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol
- Molecular formula
- C15H25NO2
- Molecular weight
- 251.37
Names & synonyms
175590-76-8(2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol(2R,3R)-1-(DIMETHYLAMINO)-3-(3-METHOXYPHENYL)-2-METHYL-3-PENTANOLtrans-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol(2R,3R)-rel-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol(alphaR)-rel-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanolPZNRRUTVGXCKFC-IUODEOHRSA-NSCHEMBL15201857N74GU5VKSCHEMBL29965664DTXSID50431082AKOS015901596
Show more names
Benzenemethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-ethyl-3-methoxy-, (αR)-rel-me: (alphaR)-rel-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol
AC-26370DB-299602(2R,3R)-1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol, trans-(+/-)-(2R,3R)-(+/-)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-olBenzenemethanol, alpha-[(1R)-2-(dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxy-, (alphaR)-rel-rel-(alphaR)-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol
Database identifiers
- CAS
175590-76-8- PubChem CID
- 9813697
- DTXSID
DTXSID50431082- UNII
- 57N74GU5VK
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 362.9 · 362.9±37.0 °C(Predicted)
- Density
- 1 · 1.000
- storage temp.
- 2 · 2-8°C
- pka
- 14.27 · 14.27±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
Loading…