3-甲基-4-(1-吡咯烷基)苯胺
TL;DR: 3-甲基-4-(1-吡咯烷基)苯胺 (CAS 16089-43-3) 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.
3-甲基-4-(1-吡咯烷基)苯胺
3-methyl-4-pyrrolidin-1-ylaniline
Also Known As: 3-Methyl-4-(pyrrolidin-1-yl)aniline, 3-Methyl-4-(1-pyrrolidinyl)aniline, 3-methyl-4-pyrrolidin-1-ylaniline, Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-, N-(4-Amino-2-methylphenyl)pyrrolidine
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 16089-43-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)N2CCCC2 |
| InChIKey | HXGBHCCAZHQXQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-4-(1-吡咯烷基)苯胺 (CAS 16089-43-3), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 3-methyl-4-pyrrolidin-1-ylaniline.
Chemical Property Profile of 3-甲基-4-(1-吡咯烷基)苯胺
Property Insights of 3-甲基-4-(1-吡咯烷基)苯胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-4-(1-吡咯烷基)苯胺. With a topological polar surface area (TPSA) of 29.3 Ų, 3-甲基-4-(1-吡咯烷基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-4-(1-吡咯烷基)苯胺 has 1 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 3-甲基-4-(1-吡咯烷基)苯胺?
The CAS number of 3-甲基-4-(1-吡咯烷基)苯胺 is 16089-43-3.
What is the molecular formula of 3-甲基-4-(1-吡咯烷基)苯胺?
The molecular formula of 3-甲基-4-(1-吡咯烷基)苯胺 is C11H16N2.
What is the molecular weight of 3-甲基-4-(1-吡咯烷基)苯胺?
The molecular weight of 3-甲基-4-(1-吡咯烷基)苯胺 is 176.13 g/mol.
Where can I buy 3-甲基-4-(1-吡咯烷基)苯胺?
You can request a quote for 3-甲基-4-(1-吡咯烷基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-4-(1-吡咯烷基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-4-(1-吡咯烷基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.