N-Methylmescaline
PubChem CID: 138365
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| Compound Synonyms | N-Methylmescaline, 4838-96-4, N-Methyl-2-(3,4,5-trimethoxyphenyl)ethanamine, Benzenethanamine, 3,4,5-trimethoxy-N-methyl-, Benzenethanamine,3,4,5-trimethoxy-N-methyl-, LNN57P8WGG, CHEBI:7319, Benzeneethanamine,3,4,5-trimethoxy-N-methyl-, N-methyl-3,4,5-trimethoxyphenethylamine, n-Methyl-2-(3,4,5-trimethoxyphenyl)ethan-1-amine, N-methyl Mescaline (hydrochloride), AC1L3CNA, Benzeneethanamine, 3,4,5-trimethoxy-N-methyl-, Mescaline, N-methyl-, UNII-LNN57P8WGG, Phenethylamine, 3,4,5-trimethoxy-N-methyl-, C08310, CHEMBL100531, SCHEMBL4320087, DTXSID00197505, AKOS000277427, N-Methyl-3,4,5-trimethoxybenzeneethanamine, CS-0302462, methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amine, EN300-1853035, 3,4,5-TRIMETHOXY-N-METHYLBENZENEETHANAMINE, N-Methyl-2-(3,4,5-trimethoxyphenyl)ethanamine #, Q15425805, (METHYL)(2-(3,4,5-TRIMETHOXYPHENYL)ETHYL)AMINE, N-methyl-N-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-amine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | CNCCcccOC))ccc6)OC)))OC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenethylamines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P28565 |
| Iupac Name | N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H19NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OTXANOLOOUNVSR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5 |
| Logs | -1.158 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.057 |
| Synonyms | n-methyl mescaline, n-methylmescaline |
| Esol Class | Very soluble |
| Functional Groups | CNC, cOC |
| Compound Name | N-Methylmescaline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 225.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 225.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.9372351999999995 |
| Inchi | InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3 |
| Smiles | CNCCC1=CC(=C(C(=C1)OC)OC)OC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lophophora Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all