N-(1-Phenylethyl)aniline
TL;DR: N-(1-Phenylethyl)aniline (CAS 76716-27-3) is a chemical compound with molecular formula C14H15N and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenylethyl)aniline
Also Known As: N-(1-Phenylethyl)aniline, 1,N-Diphenylethanamine, N,1-Diphenylethanamine, N-.alpha.-Phenethylaniline, alpha-Methylbenzylphenylamine
| Molecular Formula | C14H15N |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.12045 |
| Heavy Atoms | 15 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 76716-27-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=CC=CC=C2 |
| InChIKey | IUERBKSXAYWVGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-Phenylethyl)aniline (CAS 76716-27-3), with molecular formula C14H15N and molecular weight 197.12 g/mol. IUPAC: N-(1-phenylethyl)aniline.
Chemical Property Profile of N-(1-Phenylethyl)aniline
Property Insights of N-(1-Phenylethyl)aniline
The XLogP value of 3.8 indicates that N-(1-Phenylethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(1-Phenylethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-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 N-(1-Phenylethyl)aniline?
The CAS number of N-(1-Phenylethyl)aniline is 76716-27-3.
What is the molecular formula of N-(1-Phenylethyl)aniline?
The molecular formula of N-(1-Phenylethyl)aniline is C14H15N.
What is the molecular weight of N-(1-Phenylethyl)aniline?
The molecular weight of N-(1-Phenylethyl)aniline is 197.12 g/mol.
Where can I buy N-(1-Phenylethyl)aniline?
You can request a quote for N-(1-Phenylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.