Beatrice

HCID 212480

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Basic information

CAS: 92206-37-6
Standard SMILES: CNC(C)Cc1cc(OC)c(C)cc1OC
InChIKey: IWYGVDBZCSCJGT-UHFFFAOYSA-N
Molecular formula: C13H21NO2
Average molar mass: 223.31 g/mol
Monoisotopic mass: 223.15722891

Names & identifiers

Preferred name: Beatrice
IUPAC: 1-(2,5-dimethoxy-4-methylphenyl)-N-methylpropan-2-amine

Names & synonyms

BeatriceBeatrice (psychedelic)4TM7A9W7KWCHEMBL1904492206-37-62,5-Dimethoxy-N,alpha,4-trimethylbenzeneethanamineBRN 2108149Phenethylamine, 2,5-dimethoxy-alpha,N,4-trimethyl-2,5-Dimethoxy-alpha,N,4-trimethylphenethylamine1-(2,5-dimethoxy-4-methylphenyl)-N-methylpropan-2-amineUNII-4TM7A9W7KWSCHEMBL5306335

Show more names

DTXSID20947125BDBM50222220N-methyl-2,5-dimethoxy-4-methylamphetamineQ48771132,5-DIMETHOXY-N,.ALPHA.,4-TRIMETHYLBENZENEETHANAMINEBenzeneethanamine, 2,5-dimethoxy-N,alpha,4-trimethyl-, (+/-)-BENZENEETHANAMINE, 2,5-DIMETHOXY-N,.ALPHA.,4-TRIMETHYL-, (+/-)-

Database identifiers

CAS: 92206-37-6
PubChem CID: 212480
DTXSID: DTXSID20947125
ChEMBL: CHEMBL19044
UNII: 4TM7A9W7KW
Nikkaji: J50.039I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 198

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