2-Benzyloxyaniline
PubChem CID: 240548
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| Compound Synonyms | 2-Benzyloxyaniline, 2-(benzyloxy)aniline, 20012-63-9, 2-phenylmethoxyaniline, Benzenamine, 2-(phenylmethoxy)-, 2-benzyloxy aniline, C13H13NO, MFCD03093873, DTXSID10286656, 2-benzyloxy-phenylamine, 2-Benzyloxyanilline, MJW, NSC46882, O-Benzyl-o-aminophenol, 2-(Benzyloxy)-aniline, 2-Benzyloxyaniline, 97%, 3-amino-4-benzyloxybenzene, SCHEMBL292275, (2-phenylmethoxy-phenyl)-amine, DTXCID50237804, BBL100201, NSC 46882, NSC-46882, STK946070, AKOS000132746, CS-W013204, FB18479, PS-5794, SB35150, NCGC00320864-01, BP-20244, SY017992, B3796, C13335, EN300-215606, AB00444002-03, F0001-2717, Z239127480, 2-(Phenylmethoxy)benzenamine, o-(Benzyloxy)aniline, 2-(Benzyloxy)benzenamine, 628-010-6 |
|---|---|
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylmethoxyaniline |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C13H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLPVLSBYYOWFKM-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.104 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.02 |
| Compound Name | 2-Benzyloxyaniline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 199.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 199.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 199.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1766686 |
| Inchi | InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2 |
| Smiles | C1=CC=C(C=C1)COC2=CC=CC=C2N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients