4-(2,5-Dihydro-3-methoxyphenyl)butylamine
TL;DR: 4-(2,5-Dihydro-3-methoxyphenyl)butylamine (CAS 77515-67-4) is a chemical compound with molecular formula C11H19NO and molecular weight 181.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methoxycyclohexa-1,4-dien-1-yl)butan-1-amine
Also Known As: 4-(2,5-Dihydro-3-methoxyphenyl)butylamine, 1-methoxy-5-(4'-aminobutyl)cyclohexa-1,3-diene, 4-(5-methoxycyclohexa-1,4-dien-1-yl)butan-1-amine, 4-(5-Methoxy-1,4-cyclohexadien-1-yl)-1-butanamine #
| Molecular Formula | C11H19NO |
|---|---|
| Molecular Weight | 181.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.14667 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 77515-67-4 |
|---|---|
| SMILES | COC1=CCC=C(C1)CCCCN |
| InChIKey | DMDCERRVAJMOJP-UHFFFAOYSA-N |
Product Overview
4-(2,5-Dihydro-3-methoxyphenyl)butylamine (CAS 77515-67-4), with molecular formula C11H19NO and molecular weight 181.15 g/mol. IUPAC: 4-(5-methoxycyclohexa-1,4-dien-1-yl)butan-1-amine.
Chemical Property Profile of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine
Property Insights of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dihydro-3-methoxyphenyl)butylamine. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(2,5-Dihydro-3-methoxyphenyl)butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dihydro-3-methoxyphenyl)butylamine 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 4-(2,5-Dihydro-3-methoxyphenyl)butylamine?
The CAS number of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine is 77515-67-4.
What is the molecular formula of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine?
The molecular formula of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine is C11H19NO.
What is the molecular weight of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine?
The molecular weight of 4-(2,5-Dihydro-3-methoxyphenyl)butylamine is 181.15 g/mol.
Where can I buy 4-(2,5-Dihydro-3-methoxyphenyl)butylamine?
You can request a quote for 4-(2,5-Dihydro-3-methoxyphenyl)butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dihydro-3-methoxyphenyl)butylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dihydro-3-methoxyphenyl)butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.