3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol
TL;DR: 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol (CAS 953400-57-2) is a chemical compound with molecular formula C14H23NO and molecular weight 221.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(dimethylamino)-2-methylpentan-3-yl]phenol
Also Known As: Tapentadol, Tapentadol EP Impurity B, Tapentadol Intermediates 4, 3-(1-(dimethylamino)-2-methylpentan-3-yl)phenol, 3-[1-(dimethylamino)-2-methylpentan-3-yl]phenol
| Molecular Formula | C14H23NO |
|---|---|
| Molecular Weight | 221.18 g/mol |
| LogP | 3.0835 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.17796 |
| Heavy Atoms | 16 |
| Complexity | 322.2663 |
Chemical Identifiers
| CAS Number | 953400-57-2 |
|---|---|
| SMILES | CCC(C1=CC(=CC=C1)O)C(C)CN(C)C |
Product Overview
3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol (CAS 953400-57-2), with molecular formula C14H23NO and molecular weight 221.18 g/mol. IUPAC: 3-[1-(dimethylamino)-2-methylpentan-3-yl]phenol.
Chemical Property Profile of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol
Property Insights of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol
The XLogP value of 3.0835 indicates that 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-(Dimethylamino)-2-methylpentan-3-yl)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 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol?
The CAS number of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol is 953400-57-2.
What is the molecular formula of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol?
The molecular formula of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol is C14H23NO.
What is the molecular weight of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol?
The molecular weight of 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol is 221.18 g/mol.
Where can I buy 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol?
You can request a quote for 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-(Dimethylamino)-2-methylpentan-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.