2-[[2-(Methoxymethyl)anilino]methyl]aniline
PubChem CID: 66385053
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| Compound Synonyms | AKOS015729984 |
|---|---|
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-(methoxymethyl)anilino]methyl]aniline |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H18N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQTMQERLPBHIAG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.212 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.539 |
| Compound Name | 2-[[2-(Methoxymethyl)anilino]methyl]aniline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.142 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9988297333333334 |
| Inchi | InChI=1S/C15H18N2O/c1-18-11-13-7-3-5-9-15(13)17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11,16H2,1H3 |
| Smiles | COCC1=CC=CC=C1NCC2=CC=CC=C2N |
| Nring | 2.0 |
| 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