Benzenebutanamine, 3-methoxy-
TL;DR: Benzenebutanamine, 3-methoxy- (CAS 122875-03-0) 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.
4-(3-methoxyphenyl)butan-1-amine
Also Known As: Benzenebutanamine, 3-methoxy-, 4-(3-methoxyphenyl)butan-1-amine, 4-(3-Methoxyphenyl)butylamine, 3-Methoxy-benzenebutanamine, 4-(3-methoxy-phenyl)-butylamine
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 122875-03-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CCCCN |
| InChIKey | NEHQMKGFIODIOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenebutanamine, 3-methoxy- (CAS 122875-03-0), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 4-(3-methoxyphenyl)butan-1-amine.
Chemical Property Profile of Benzenebutanamine, 3-methoxy-
Property Insights of Benzenebutanamine, 3-methoxy-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanamine, 3-methoxy-. With a topological polar surface area (TPSA) of 35.3 Ų, Benzenebutanamine, 3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanamine, 3-methoxy- 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 Benzenebutanamine, 3-methoxy-?
The CAS number of Benzenebutanamine, 3-methoxy- is 122875-03-0.
What is the molecular formula of Benzenebutanamine, 3-methoxy-?
The molecular formula of Benzenebutanamine, 3-methoxy- is C11H17NO.
What is the molecular weight of Benzenebutanamine, 3-methoxy-?
The molecular weight of Benzenebutanamine, 3-methoxy- is 179.13 g/mol.
Where can I buy Benzenebutanamine, 3-methoxy-?
You can request a quote for Benzenebutanamine, 3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanamine, 3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanamine, 3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.