![2-[(Dimethylamino)methyl]-3,6-dimethylphenol structure](/static/products/668/66801-29-4.png)
2-[(Dimethylamino)methyl]-3,6-dimethylphenol
TL;DR: 2-[(Dimethylamino)methyl]-3,6-dimethylphenol (CAS 66801-29-4) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]-3,6-dimethylphenol
Also Known As: Phenol,6-dimethyl-, 2-[(dimethylamino)methyl]-3,6-dimethylphenol, 2-(Dimethylaminomethyl)-3,6-xylenol, 2-[(Dimethylamino)methyl]-3,6-xylenol, 2-Dimethylaminomethyl-3,6-dimethylphenol
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 66801-29-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)O)CN(C)C |
| InChIKey | JCHIOWMYNIKOEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(Dimethylamino)methyl]-3,6-dimethylphenol (CAS 66801-29-4), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 2-[(dimethylamino)methyl]-3,6-dimethylphenol.
Chemical Property Profile of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol
Property Insights of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methyl]-3,6-dimethylphenol. With a topological polar surface area (TPSA) of 23.5 Ų, 2-[(Dimethylamino)methyl]-3,6-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methyl]-3,6-dimethylphenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol?
The CAS number of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol is 66801-29-4.
What is the molecular formula of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol?
The molecular formula of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol is C11H17NO.
What is the molecular weight of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol?
The molecular weight of 2-[(Dimethylamino)methyl]-3,6-dimethylphenol is 179.13 g/mol.
Where can I buy 2-[(Dimethylamino)methyl]-3,6-dimethylphenol?
You can request a quote for 2-[(Dimethylamino)methyl]-3,6-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylamino)methyl]-3,6-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methyl]-3,6-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.