N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine (CAS 3241-75-6) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine
Also Known As: ChemDiv2_000502, N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine, BAS 03316330, Benzo[1,3]dioxol-5-ylmethyl-phenethyl-amine, BENZO[1,3]DIOXOL-5-YLMETHYL-PHENETHYL-AMINE OXALATE
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.7476 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 539.70013 |
Chemical Identifiers
| CAS Number | 3241-75-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=CC=C3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine (CAS 3241-75-6), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine
The XLogP value of 2.7476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine. With a topological polar surface area (TPSA) of 30.49 Ų, N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine has 1 hydrogen bond donor(s) and 3 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-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine is 3241-75-6.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine is C16H17NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine is 255.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.