beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine
TL;DR: beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine (CAS 1085-07-0) is a chemical compound with molecular formula C15H18ClN and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-2-naphthalen-2-ylethyl)propan-2-amine
Also Known As: ICI-42464 (free base), beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine, N-(2-chloro-2-naphthalen-2-ylethyl)propan-2-amine, N-[2-chloro-2-(naphthalen-2-yl)ethyl]propan-2-amine, [2-chloro-2-(naphthalen-2-yl)ethyl](propan-2-yl)amine
| Molecular Formula | C15H18ClN |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.11278 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 1085-07-0 |
|---|---|
| SMILES | CC(C)NCC(C1=CC2=CC=CC=C2C=C1)Cl |
| InChIKey | DNEBDVGIWMFUMW-UHFFFAOYSA-N |
Product Overview
beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine (CAS 1085-07-0), with molecular formula C15H18ClN and molecular weight 247.11 g/mol. IUPAC: N-(2-chloro-2-naphthalen-2-ylethyl)propan-2-amine.
Chemical Property Profile of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine
Property Insights of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine
The XLogP value of 4.3 indicates that beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine 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 beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine?
The CAS number of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine is 1085-07-0.
What is the molecular formula of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine?
The molecular formula of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine is C15H18ClN.
What is the molecular weight of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine?
The molecular weight of beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine is 247.11 g/mol.
Where can I buy beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine?
You can request a quote for beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine?
Yes, KEHONG BIO provides custom synthesis services for beta-Chloro-N-(1-methylethyl)-2-naphthaleneethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.