N-benzyl-1-(3-methylthiophen-2-yl)methanamine
TL;DR: N-benzyl-1-(3-methylthiophen-2-yl)methanamine (CAS 878714-86-4) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methylthiophen-2-yl)methyl]-1-phenylmethanamine
Also Known As: N-benzyl-1-(3-methylthiophen-2-yl)methanamine, ASN 12425149, Benzyl-(3-methyl-thiophen-2-ylmethyl)-amine, N-benzyl-N-[(3-methyl-2-thienyl)methyl]amine, AN-465/42966121
| Molecular Formula | C13H15NS |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 3.34632 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.09251 |
| Heavy Atoms | 15 |
| Complexity | 405.48413 |
Chemical Identifiers
| CAS Number | 878714-86-4 |
|---|---|
| SMILES | CC1=C(SC=C1)CNCC2=CC=CC=C2 |
Product Overview
N-benzyl-1-(3-methylthiophen-2-yl)methanamine (CAS 878714-86-4), with molecular formula C13H15NS and molecular weight 217.09 g/mol. IUPAC: N-[(3-methylthiophen-2-yl)methyl]-1-phenylmethanamine.
Chemical Property Profile of N-benzyl-1-(3-methylthiophen-2-yl)methanamine
Property Insights of N-benzyl-1-(3-methylthiophen-2-yl)methanamine
The XLogP value of 3.34632 indicates that N-benzyl-1-(3-methylthiophen-2-yl)methanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-benzyl-1-(3-methylthiophen-2-yl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1-(3-methylthiophen-2-yl)methanamine 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 N-benzyl-1-(3-methylthiophen-2-yl)methanamine?
The CAS number of N-benzyl-1-(3-methylthiophen-2-yl)methanamine is 878714-86-4.
What is the molecular formula of N-benzyl-1-(3-methylthiophen-2-yl)methanamine?
The molecular formula of N-benzyl-1-(3-methylthiophen-2-yl)methanamine is C13H15NS.
What is the molecular weight of N-benzyl-1-(3-methylthiophen-2-yl)methanamine?
The molecular weight of N-benzyl-1-(3-methylthiophen-2-yl)methanamine is 217.09 g/mol.
Where can I buy N-benzyl-1-(3-methylthiophen-2-yl)methanamine?
You can request a quote for N-benzyl-1-(3-methylthiophen-2-yl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-1-(3-methylthiophen-2-yl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1-(3-methylthiophen-2-yl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.