N-benzyl-2-bromo-N-methylprop-2-en-1-amine
TL;DR: N-benzyl-2-bromo-N-methylprop-2-en-1-amine (CAS 111831-90-4) is a chemical compound with molecular formula C11H14BrN and molecular weight 239.03096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-2-bromo-N-methylprop-2-en-1-amine
Also Known As: benzyl-(2-bromo-allyl)-methyl-amine, N-Methyl-2-brom-allylamin, 2-BROMO-3-(N-BENZYLMETHYLAMINO)PROP-1-ENE, N-benzyl-2-bromo-N-methylprop-2-en-1-amine, N-benzyl-2-bromo-N-methyl-prop-2-en-1-amine
Technical Specifications
| Molecular Formula | C11H14BrN |
| Molecular Weight | 239.03096 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.03096 Da |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
| SMILES | CN(CC1=CC=CC=C1)CC(=C)Br |
| InChIKey | SPHHUCGYUGGGPF-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-2-bromo-N-methylprop-2-en-1-amine
Property Insights of N-benzyl-2-bromo-N-methylprop-2-en-1-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-bromo-N-methylprop-2-en-1-amine. With a topological polar surface area (TPSA) of 3.2 Ų, N-benzyl-2-bromo-N-methylprop-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-bromo-N-methylprop-2-en-1-amine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-benzyl-2-bromo-N-methylprop-2-en-1-amine?
The CAS number of N-benzyl-2-bromo-N-methylprop-2-en-1-amine is 111831-90-4.
What is the molecular formula of N-benzyl-2-bromo-N-methylprop-2-en-1-amine?
The molecular formula of N-benzyl-2-bromo-N-methylprop-2-en-1-amine is C11H14BrN.
What is the molecular weight of N-benzyl-2-bromo-N-methylprop-2-en-1-amine?
The molecular weight of N-benzyl-2-bromo-N-methylprop-2-en-1-amine is 239.03096 g/mol.
Where can I buy N-benzyl-2-bromo-N-methylprop-2-en-1-amine?
You can request a quote for N-benzyl-2-bromo-N-methylprop-2-en-1-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-2-bromo-N-methylprop-2-en-1-amine?
Yes, CoreyChem provides custom synthesis services for N-benzyl-2-bromo-N-methylprop-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.