N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine
TL;DR: N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine (CAS 116753-54-9) is a chemical compound with molecular formula C12H20N2 and molecular weight 192.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N'-(1-phenylethyl)propane-1,3-diamine
Also Known As: N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine, [3-(methylamino)propyl](1-phenylethyl)amine, N-methyl-N'-(1-phenylethyl)propane-1,3-diamine, [3-(4-FLUOROPHENOXY)PROPYL]AMINE, N'-methyl-N-(1-phenylethyl)propane-1,3-diamine
| Molecular Formula | C12H20N2 |
|---|---|
| Molecular Weight | 192.16 g/mol |
| LogP | 1.9467 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.16264 |
| Heavy Atoms | 14 |
| Complexity | 233.33687 |
Chemical Identifiers
| CAS Number | 116753-54-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NCCCNC |
Product Overview
N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine (CAS 116753-54-9), with molecular formula C12H20N2 and molecular weight 192.16 g/mol. IUPAC: N-methyl-N'-(1-phenylethyl)propane-1,3-diamine.
Chemical Property Profile of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine
Property Insights of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine
The XLogP value of 1.9467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine. With a topological polar surface area (TPSA) of 24.06 Ų, N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine 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 N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine?
The CAS number of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine is 116753-54-9.
What is the molecular formula of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine?
The molecular formula of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine is C12H20N2.
What is the molecular weight of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine?
The molecular weight of N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine is 192.16 g/mol.
Where can I buy N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine?
You can request a quote for N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N1-Methyl-N3-(1-phenylethyl)-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.