4-chloro-N-(2-phenylethyl)aniline
TL;DR: 4-chloro-N-(2-phenylethyl)aniline (CAS 1739-04-4) is a chemical compound with molecular formula C14H14ClN and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-phenylethyl)aniline
Also Known As: 4-chloro-N-phenethylaniline, N-Phenethyl-4-chloroaniline, (4-Chloro-phenyl)-phenethyl-amine, 4-chloro-N-(2-phenylethyl)aniline, BAS 00394664
| Molecular Formula | C14H14ClN |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 3.9946 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08148 |
| Heavy Atoms | 16 |
| Complexity | 422.24814 |
Chemical Identifiers
| CAS Number | 1739-04-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-(2-phenylethyl)aniline (CAS 1739-04-4), with molecular formula C14H14ClN and molecular weight 231.08 g/mol. IUPAC: 4-chloro-N-(2-phenylethyl)aniline.
Chemical Property Profile of 4-chloro-N-(2-phenylethyl)aniline
Property Insights of 4-chloro-N-(2-phenylethyl)aniline
The XLogP value of 3.9946 indicates that 4-chloro-N-(2-phenylethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 4-chloro-N-(2-phenylethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(2-phenylethyl)aniline 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 4-chloro-N-(2-phenylethyl)aniline?
The CAS number of 4-chloro-N-(2-phenylethyl)aniline is 1739-04-4.
What is the molecular formula of 4-chloro-N-(2-phenylethyl)aniline?
The molecular formula of 4-chloro-N-(2-phenylethyl)aniline is C14H14ClN.
What is the molecular weight of 4-chloro-N-(2-phenylethyl)aniline?
The molecular weight of 4-chloro-N-(2-phenylethyl)aniline is 231.08 g/mol.
Where can I buy 4-chloro-N-(2-phenylethyl)aniline?
You can request a quote for 4-chloro-N-(2-phenylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.