2,4,6-Trimethoxyaniline
PubChem CID: 84271
Connections displayed (default: 10).
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| Compound Synonyms | 2,4,6-Trimethoxyaniline, 14227-17-9, Benzenamine, 2,4,6-trimethoxy-, EINECS 238-095-8, DTXSID70161990, MFCD00017165, 2,4,6-tri-methoxyaniline, 2,4,6-trimethoxy-phenylamine, SCHEMBL1122691, DTXCID5084481, 1-Amino-2,4,6-trimethoxybenzene, (2,4,6-trimethoxy-phenyl)-amine, AKOS000140047, CS-W007291, FT157282, NS00024620, EN300-176234, 238-095-8 |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6-trimethoxyaniline |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H13NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FNSAKXLEFPFZOM-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.156 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.7 |
| Compound Name | 2,4,6-Trimethoxyaniline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 183.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 183.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8439218615384614 |
| Inchi | InChI=1S/C9H13NO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,10H2,1-3H3 |
| Smiles | COC1=CC(=C(C(=C1)OC)N)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Salicina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Achillea Wilhelmsii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Backhousia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Blighia Welwitschii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cunninghamia Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Juniperus Ashei (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Kalanchoe Blossfeldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sassafras Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Tanacetum Nubigenum (Plant) Rel Props:Source_db:cmaup_ingredients