3-(Propan-2-yloxy)aniline
PubChem CID: 573220
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| Compound Synonyms | 3-Isopropoxyaniline, 41406-00-2, 3-propan-2-yloxyaniline, m-Isopropoxyaniline, 3-(propan-2-yloxy)aniline, 3-Isopropoxy-phenylamine, Benzenamine, 3-(1-methylethoxy)-, m-Aminophenyl isopropyl ether, isopropoxyaniline, 3-(Isopropyloxy)aniline, 3-Isopropoxyaniline, 3-Isopropoxybenzenamine, m-(Isopropyloxy)aniline, m-Aminophenyl Isopropyl Ether, 3-isopropoxy aniline, MFCD00052700, meta-isopropoxyaniline, 3-isopropoxybenzenamine, 3-Isopropoxyaniline #, 3-Isopropoxyaniline, 97%, SCHEMBL105230, QMGBIPKOKCSUCL-UHFFFAOYSA-, DTXSID30341458, ALBB-004717, BBL036331, STK500332, AKOS000146456, CS-W010961, SB75744, AS-47937, DB-049749, I0448, EN300-244056, F17045, F5608-0062, Z239604760, InChI=1/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3, 628-701-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCOcccccc6)N)))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Aminophenyl ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-propan-2-yloxyaniline |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H13NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | QMGBIPKOKCSUCL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | m-isopropoxyaniline |
| Esol Class | Soluble |
| Functional Groups | cN, cOC |
| Compound Name | 3-(Propan-2-yloxy)aniline |
| Exact Mass | 151.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3 |
| Smiles | CC(C)OC1=CC=CC(=C1)N |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751