N-Methyl-2-(prop-1-en-2-yl)aniline
TL;DR: N-Methyl-2-(prop-1-en-2-yl)aniline (CAS 7117-17-1) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-prop-1-en-2-ylaniline
Also Known As: N-Methyl-2-(prop-1-en-2-yl)aniline, N-Methyl-2-isopropenylaniline, N-methyl-2-prop-1-en-2-ylaniline, N-methyl-2-prop-1-en-2-yl-aniline, J3.168.689J
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 2.7614 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 263.33023 |
Chemical Identifiers
| CAS Number | 7117-17-1 |
|---|---|
| SMILES | CC(=C)C1=CC=CC=C1NC |
Product Overview
N-Methyl-2-(prop-1-en-2-yl)aniline (CAS 7117-17-1), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: N-methyl-2-prop-1-en-2-ylaniline.
Chemical Property Profile of N-Methyl-2-(prop-1-en-2-yl)aniline
Property Insights of N-Methyl-2-(prop-1-en-2-yl)aniline
The XLogP value of 2.7614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-2-(prop-1-en-2-yl)aniline. With a topological polar surface area (TPSA) of 12.03 Ų, N-Methyl-2-(prop-1-en-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-2-(prop-1-en-2-yl)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-Methyl-2-(prop-1-en-2-yl)aniline?
The CAS number of N-Methyl-2-(prop-1-en-2-yl)aniline is 7117-17-1.
What is the molecular formula of N-Methyl-2-(prop-1-en-2-yl)aniline?
The molecular formula of N-Methyl-2-(prop-1-en-2-yl)aniline is C10H13N.
What is the molecular weight of N-Methyl-2-(prop-1-en-2-yl)aniline?
The molecular weight of N-Methyl-2-(prop-1-en-2-yl)aniline is 147.10 g/mol.
Where can I buy N-Methyl-2-(prop-1-en-2-yl)aniline?
You can request a quote for N-Methyl-2-(prop-1-en-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-2-(prop-1-en-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-2-(prop-1-en-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.