N-benzyl-2-chloro-N-methylethanamine
TL;DR: N-benzyl-2-chloro-N-methylethanamine (CAS 17542-47-1) is a chemical compound with molecular formula C10H14ClN and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-chloro-N-methylethanamine
Also Known As: N-benzyl-2-chloro-N-methylethanamine, N-Benzyl-2-chloro-N-methylethan-1-amine, benzyl (2-chloroethyl)methylamine, BENZYL(2-CHLOROETHYL)METHYLAMINE, 2-(N-benzyl-methylamino)-ethyl chloride
| Molecular Formula | C10H14ClN |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.08148 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 17542-47-1 |
|---|---|
| SMILES | CN(CCCl)CC1=CC=CC=C1 |
| InChIKey | JNTMWPCEVGHVML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-2-chloro-N-methylethanamine (CAS 17542-47-1), with molecular formula C10H14ClN and molecular weight 183.08 g/mol. IUPAC: N-benzyl-2-chloro-N-methylethanamine.
Chemical Property Profile of N-benzyl-2-chloro-N-methylethanamine
Property Insights of N-benzyl-2-chloro-N-methylethanamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-chloro-N-methylethanamine. With a topological polar surface area (TPSA) of 3.2 Ų, N-benzyl-2-chloro-N-methylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-chloro-N-methylethanamine has 0 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 N-benzyl-2-chloro-N-methylethanamine?
The CAS number of N-benzyl-2-chloro-N-methylethanamine is 17542-47-1.
What is the molecular formula of N-benzyl-2-chloro-N-methylethanamine?
The molecular formula of N-benzyl-2-chloro-N-methylethanamine is C10H14ClN.
What is the molecular weight of N-benzyl-2-chloro-N-methylethanamine?
The molecular weight of N-benzyl-2-chloro-N-methylethanamine is 183.08 g/mol.
Where can I buy N-benzyl-2-chloro-N-methylethanamine?
You can request a quote for N-benzyl-2-chloro-N-methylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-chloro-N-methylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-chloro-N-methylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.