2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
TL;DR: 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol (CAS 63991-37-7) is a chemical compound with molecular formula C12H18FNO and molecular weight 211.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-1-(3-fluorophenyl)ethanol
Also Known As: 2-Butylamino-1-(3-fluorophenyl)ethanol, Ethanol, 2-butylamino-1-(3-fluorophenyl)-, alpha-[(Butylamino)methyl]-3-fluorobenzyl alcohol, 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol, 2-(butylamino)-1-(3-fluorophenyl)ethanol
| Molecular Formula | C12H18FNO |
|---|---|
| Molecular Weight | 211.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.13724 |
| Heavy Atoms | 15 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 63991-37-7 |
|---|---|
| SMILES | CCCCNCC(C1=CC(=CC=C1)F)O |
| InChIKey | VYSHHZZXEWZRRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol (CAS 63991-37-7), with molecular formula C12H18FNO and molecular weight 211.14 g/mol. IUPAC: 2-(butylamino)-1-(3-fluorophenyl)ethanol.
Chemical Property Profile of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
Property Insights of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol. With a topological polar surface area (TPSA) of 32.3 Ų, 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol has 2 hydrogen bond donor(s) and 3 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 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol?
The CAS number of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol is 63991-37-7.
What is the molecular formula of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol?
The molecular formula of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol is C12H18FNO.
What is the molecular weight of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol?
The molecular weight of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol is 211.14 g/mol.
Where can I buy 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol?
You can request a quote for 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.