N-methyltyraminium
PubChem CID: 25202330
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| Compound Synonyms | N-methyltyraminium, 2-(4-hydroxyphenyl)ethyl-methylazanium, N-methyltyraminium(1+), N-methyltyraminium cation, CHEBI:58155, 2-(4-hydroxyphenyl)-N-methylethanaminium, Q27125410 |
|---|---|
| Topological Polar Surface Area | 36.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)ethyl-methylazanium |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C9H14NO+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | AXVZFRBSCNEKPQ-UHFFFAOYSA-O |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.126 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.97 |
| Compound Name | N-methyltyraminium |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.108 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 152.108 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0036817636363637 |
| Inchi | InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3/p+1 |
| Smiles | C[NH2+]CCC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sida Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients