N-(pyrrolidin-2-ylmethyl)aniline
TL;DR: N-(pyrrolidin-2-ylmethyl)aniline (CAS 83113-91-1) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyrrolidin-2-ylmethyl)aniline
Also Known As: ECHINOCYSTICACID, (S)-(+)-2-(Anilinomethyl)pyrrolidine, N-(pyrrolidin-2-ylmethyl)aniline, (R)-(-)-2-(Anilinomethyl)pyrrolidine, (+/-)-2-(anilinomethyl)pyrrolidine
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 1.8505 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 239.52701 |
Chemical Identifiers
| CAS Number | 83113-91-1 |
|---|---|
| SMILES | C1CC(NC1)CNC2=CC=CC=C2 |
Product Overview
N-(pyrrolidin-2-ylmethyl)aniline (CAS 83113-91-1), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: N-(pyrrolidin-2-ylmethyl)aniline.
Chemical Property Profile of N-(pyrrolidin-2-ylmethyl)aniline
Property Insights of N-(pyrrolidin-2-ylmethyl)aniline
The XLogP value of 1.8505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyrrolidin-2-ylmethyl)aniline. With a topological polar surface area (TPSA) of 24.06 Ų, N-(pyrrolidin-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(pyrrolidin-2-ylmethyl)aniline has 2 hydrogen bond donor(s) and 2 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-(pyrrolidin-2-ylmethyl)aniline?
The CAS number of N-(pyrrolidin-2-ylmethyl)aniline is 83113-91-1.
What is the molecular formula of N-(pyrrolidin-2-ylmethyl)aniline?
The molecular formula of N-(pyrrolidin-2-ylmethyl)aniline is C11H16N2.
What is the molecular weight of N-(pyrrolidin-2-ylmethyl)aniline?
The molecular weight of N-(pyrrolidin-2-ylmethyl)aniline is 176.13 g/mol.
Where can I buy N-(pyrrolidin-2-ylmethyl)aniline?
You can request a quote for N-(pyrrolidin-2-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(pyrrolidin-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(pyrrolidin-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.