Benzenemethanamine, N-butyl-3-fluoro-
TL;DR: Benzenemethanamine, N-butyl-3-fluoro- (CAS 90389-44-9) is a chemical compound with molecular formula C11H16FN and molecular weight 181.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-fluorophenyl)methyl]butan-1-amine
Also Known As: Benzylamine der, N-(3-Fluorobenzyl)butan-1-amine, Benzenemethanamine, N-butyl-3-fluoro-, BUTYL[(3-FLUOROPHENYL)METHYL]AMINE, N-[(3-fluorophenyl)methyl]butan-1-amine
| Molecular Formula | C11H16FN |
|---|---|
| Molecular Weight | 181.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.12668 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 90389-44-9 |
|---|---|
| SMILES | CCCCNCC1=CC(=CC=C1)F |
| InChIKey | CDZXTUXULNFHSG-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N-butyl-3-fluoro- (CAS 90389-44-9), with molecular formula C11H16FN and molecular weight 181.13 g/mol. IUPAC: N-[(3-fluorophenyl)methyl]butan-1-amine.
Chemical Property Profile of Benzenemethanamine, N-butyl-3-fluoro-
Property Insights of Benzenemethanamine, N-butyl-3-fluoro-
The XLogP value of 3.0 indicates that Benzenemethanamine, N-butyl-3-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenemethanamine, N-butyl-3-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-butyl-3-fluoro- 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 Benzenemethanamine, N-butyl-3-fluoro-?
The CAS number of Benzenemethanamine, N-butyl-3-fluoro- is 90389-44-9.
What is the molecular formula of Benzenemethanamine, N-butyl-3-fluoro-?
The molecular formula of Benzenemethanamine, N-butyl-3-fluoro- is C11H16FN.
What is the molecular weight of Benzenemethanamine, N-butyl-3-fluoro-?
The molecular weight of Benzenemethanamine, N-butyl-3-fluoro- is 181.13 g/mol.
Where can I buy Benzenemethanamine, N-butyl-3-fluoro-?
You can request a quote for Benzenemethanamine, N-butyl-3-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-butyl-3-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-butyl-3-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.