2-(Anilinomethyl)-3,3-dimethylbutan-1-ol
TL;DR: 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol (CAS 83096-39-3) 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.
2-(anilinomethyl)-3,3-dimethylbutan-1-ol
Also Known As: 2-(anilinomethyl)-3,3-dimethylbutan-1-ol, 1-Butanol,3,3-dimethyl-2-[(phenylamino)methyl]-
| Molecular Formula | C13H21NO |
|---|---|
| Molecular Weight | 207.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.16231 |
| Heavy Atoms | 15 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 83096-39-3 |
|---|---|
| SMILES | CC(C)(C)C(CNC1=CC=CC=C1)CO |
| InChIKey | LQRQRGWAWUJYHJ-UHFFFAOYSA-N |
Product Overview
2-(Anilinomethyl)-3,3-dimethylbutan-1-ol (CAS 83096-39-3), with molecular formula C13H21NO and molecular weight 207.16 g/mol. IUPAC: 2-(anilinomethyl)-3,3-dimethylbutan-1-ol.
Chemical Property Profile of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol
Property Insights of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol
The XLogP value of 3.8 indicates that 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol has 2 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-(Anilinomethyl)-3,3-dimethylbutan-1-ol?
The CAS number of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol is 83096-39-3.
What is the molecular formula of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol?
The molecular formula of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol is C13H21NO.
What is the molecular weight of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol?
The molecular weight of 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol is 207.16 g/mol.
Where can I buy 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol?
You can request a quote for 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Anilinomethyl)-3,3-dimethylbutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.