4-Dimethylamino-3,5-xylenol
PubChem CID: 22499
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| Compound Synonyms | 4-Dimethylamino-3,5-xylenol, 4-(Dimethylamino)-3,5-dimethylphenol, 6120-10-1, 4-(Dimethylamino)-3,5-xylenol, Caswell No. 359F, Phenol, 4-(dimethylamino)-3,5-dimethyl-, VY8990GQTI, 3,5-XYLENOL, 4-(DIMETHYLAMINO)-, EINECS 228-089-3, UNII-VY8990GQTI, EPA Pesticide Chemical Code 205200, BRN 2936720, DTXSID2020503, DIMETHYLAMINO-3,5-XYLENOL, 4-, DTXCID40503, SCHEMBL8565316, AKOS006279614, 4-(Dimethylamino)-3,5-dimethylphenol #, NS00045464, EN300-7814574, Q27292096 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CNccC)cccc6C)))O)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cresols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(dimethylamino)-3,5-dimethylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | GZPBVLUEICLBOA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-(dimethylamino)-,3,5-dimethyl-phenol |
| Esol Class | Soluble |
| Functional Groups | cN(C)C, cO |
| Compound Name | 4-Dimethylamino-3,5-xylenol |
| Exact Mass | 165.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 165.23 |
| 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/C10H15NO/c1-7-5-9(12)6-8(2)10(7)11(3)4/h5-6,12H,1-4H3 |
| Smiles | CC1=CC(=CC(=C1N(C)C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Caesia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884781