2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol
TL;DR: 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol (CAS 97-43-8) is a chemical compound with molecular formula C13H21NO and molecular weight 207.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-[(dimethylamino)methyl]phenol
Also Known As: Plexol B, Phenol,1-dimethylethyl)-, 2-[ methyl]-4- phenol, AI3-09123, o-cresol, 4-tert-butyl-
| Molecular Formula | C13H21NO |
|---|---|
| Molecular Weight | 207.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.16231 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 97-43-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)CN(C)C |
| InChIKey | AOLMGCHTFOOEDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol (CAS 97-43-8), with molecular formula C13H21NO and molecular weight 207.16 g/mol. IUPAC: 4-tert-butyl-2-[(dimethylamino)methyl]phenol.
Chemical Property Profile of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol
Property Insights of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol. With a topological polar surface area (TPSA) of 23.5 Ų, 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol 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)-4-(1,1-dimethylethyl)phenol?
The CAS number of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol is 97-43-8.
What is the molecular formula of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol?
The molecular formula of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol is C13H21NO.
What is the molecular weight of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol?
The molecular weight of 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol is 207.16 g/mol.
Where can I buy 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol?
You can request a quote for 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol 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)-4-(1,1-dimethylethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((Dimethylamino)methyl)-4-(1,1-dimethylethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.