Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
PubChem CID: 10977238
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| Compound Synonyms | Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-, 83326-78-7, DTXSID20450508, AKOS015763537 |
|---|---|
| Topological Polar Surface Area | 58.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-[(2-aminophenyl)methylamino]phenyl]methanol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C14H16N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKHCTMYLYGIEKX-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.126 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 228.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0131819411764704 |
| Inchi | InChI=1S/C14H16N2O/c15-13-7-3-1-5-11(13)9-16-14-8-4-2-6-12(14)10-17/h1-8,16-17H,9-10,15H2 |
| Smiles | C1=CC=C(C(=C1)CNC2=CC=CC=C2CO)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coptis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Trigonostemon Lii (Plant) Rel Props:Source_db:cmaup_ingredients