3-Methyl-4-phenyl-2-butanamine
TL;DR: 3-Methyl-4-phenyl-2-butanamine (CAS 89538-72-7) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenylbutan-2-amine
Also Known As: 3-methyl-4-phenyl-2-butanamine, 3-methyl-4-phenylbutan-2-amine, NCI60_002220, Benzenepropanamine, -alpha-,-b?ta--dimethyl-
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 89538-72-7 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(C)N |
| InChIKey | JQHIKBYBXHTBMP-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-phenyl-2-butanamine (CAS 89538-72-7), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 3-methyl-4-phenylbutan-2-amine.
Chemical Property Profile of 3-Methyl-4-phenyl-2-butanamine
Property Insights of 3-Methyl-4-phenyl-2-butanamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-phenyl-2-butanamine. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Methyl-4-phenyl-2-butanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-2-butanamine has 1 hydrogen bond donor(s) and 1 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-Methyl-4-phenyl-2-butanamine?
The CAS number of 3-Methyl-4-phenyl-2-butanamine is 89538-72-7.
What is the molecular formula of 3-Methyl-4-phenyl-2-butanamine?
The molecular formula of 3-Methyl-4-phenyl-2-butanamine is C11H17N.
What is the molecular weight of 3-Methyl-4-phenyl-2-butanamine?
The molecular weight of 3-Methyl-4-phenyl-2-butanamine is 163.14 g/mol.
Where can I buy 3-Methyl-4-phenyl-2-butanamine?
You can request a quote for 3-Methyl-4-phenyl-2-butanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-2-butanamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-2-butanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.