N-(3-Chloropropyl)phenylethylamine
TL;DR: N-(3-Chloropropyl)phenylethylamine (CAS 123354-89-2) is a chemical compound with molecular formula C11H16ClN and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2-phenylethyl)propan-1-amine
Also Known As: CPPEA, N-(3-Chloropropyl)phenylethylamine, N-(3-chloropropyl)-phenethylamine, 3-chloro-n-(2-phenylethyl)propan-1-amine, (3-chloro-propyl)-phenethyl-amine
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 123354-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNCCCCl |
| InChIKey | RTSLIXBWXGFKKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Chloropropyl)phenylethylamine (CAS 123354-89-2), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: 3-chloro-N-(2-phenylethyl)propan-1-amine.
Chemical Property Profile of N-(3-Chloropropyl)phenylethylamine
Property Insights of N-(3-Chloropropyl)phenylethylamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloropropyl)phenylethylamine. With a topological polar surface area (TPSA) of 12.0 Ų, N-(3-Chloropropyl)phenylethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloropropyl)phenylethylamine 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 N-(3-Chloropropyl)phenylethylamine?
The CAS number of N-(3-Chloropropyl)phenylethylamine is 123354-89-2.
What is the molecular formula of N-(3-Chloropropyl)phenylethylamine?
The molecular formula of N-(3-Chloropropyl)phenylethylamine is C11H16ClN.
What is the molecular weight of N-(3-Chloropropyl)phenylethylamine?
The molecular weight of N-(3-Chloropropyl)phenylethylamine is 197.10 g/mol.
Where can I buy N-(3-Chloropropyl)phenylethylamine?
You can request a quote for N-(3-Chloropropyl)phenylethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloropropyl)phenylethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloropropyl)phenylethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.