alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine
Basic information
- CAS
3735-45-3- Standard SMILES
COc1ccc(C(CCCc2ccccc2)N(C)C)cc1OC- InChIKey
HEFVRVOEBZDOJU-UHFFFAOYSA-N- Molecular formula
- C20H27NO2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.2041791
Overview
Vetrabutine is a member of benzenes and an organic amino compound.
Names & identifiers
- Preferred name
- alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamine
- IUPAC
- 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
- English name
- Dmophebumine
- Molecular formula
- C20H27NO2
- Molecular weight
- 313.438
Names & synonyms
Vetrabutine3735-45-3MonzalVetrabutinVetrabutinaI3E2J32F371-(3,4-Dimethoxyphenyl)-1-dimethylamino-4-phenylbutanevetrabutinumRefChem:1076421alpha-(3,4-Dimethoxyphenyl)-N,N-dimethylbenzenebutanamineDMOPHEBUMINE1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
Show more names
RevatrineN,N-Dimethyl-α-(3-phenylpropyl)veratrylamine1-(3,4-Dimethoxyphenyl)-4-phenylbutyldimethylamineBenzenebutanamine, α-(3,4-dimethoxyphenyl)-N,N-dimethyl-1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenyl-butan-1-amine
Vetrabutine (INN)RefatrinVETRABUTINE [INN]MonzaldonVetrabutine [INN:BAN]UNII-I3E2J32F37Sp 281N,N-Dimethyl-alpha-(3-phenylpropyl)veratrylamine
Database identifiers
- CAS
3735-45-3- PubChem CID
- 111122
- DTXSID
DTXSID90863262- ChEMBL
CHEMBL2104458
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 0.1 · bp0.1 166-168°
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 8.54 · 8.54±0.50(Predicted)
- FDA UNII
- 3 E2J32F37 · I3E2J32F37
Chemistry & industry
Pharmacology
ATC CodeQG - Genito urinary system and sex hormones
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Vetrabutine is a member of benzenes and an organic amino compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…