Basic information
- CAS
58379-94-5- Standard SMILES
COc1ccc(CC(C)NCc2ccccc2)cc1OC- InChIKey
LFUSPXMHTMBJNP-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- N-Benzyl-3,4-dimethoxyamphetamine
- IUPAC
- N-benzyl-1-(3,4-dimethoxyphenyl)propan-2-amine
Names & synonyms
58379-94-5n-benzyl-3,4-dimethoxyamphetamineN-Benzyl-3,4-dma59FC462QLSBenzyl(1-(3,4-dimethoxyphenyl)propan-2-yl)amineN-Benzyl-alpha-methyl-3,4-dimethoxyphenethylaminePhenethylamine, N-benzyl-3,4-dimethoxy-alpha-methyl-Benzeneethanamine, 3,4-dimethoxy-alpha-methyl-N-(phenylmethyl)-PHENETHYLAMINE, N-BENZYL-3,4-DIMETHOXY-.ALPHA.-METHYL-BENZENEETHANAMINE, 3,4-DIMETHOXY-.ALPHA.-METHYL-N-(PHENYLMETHYL)-RefChem:162935N-benzyl-1-(3,4-dimethoxyphenyl)propan-2-amine
Show more names
UNII-59FC462QLSSCHEMBL7929020LFUSPXMHTMBJNP-UHFFFAOYSA-NDTXSID001342209ICA37994AKOS009186483CID 410200Benzyl[1-(3,4-dimethoxyphenyl)prop-2-yl]amine
Database identifiers
- CAS
58379-94-5- PubChem CID
- 410200
- DTXSID
DTXSID001342209- UNII
- 59FC462QLS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Stimulants
Related reactions
4 records
Compound notes
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