N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine
TL;DR: N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine (CAS 4720-73-4) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanamine
Also Known As: 4-Benzyloxyiodobenzene, Benzo[1,3]dioxol-5-ylmethyl-benzyl-amine, N-piperonyl-N-benzylamine, TimTec1_008334, DL-2-METHYLPHENYLALANINE
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4720-73-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=C3 |
| InChIKey | PUBLVNIUFCOQFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine (CAS 4720-73-4), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanamine.
Chemical Property Profile of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine
Property Insights of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine. With a topological polar surface area (TPSA) of 30.5 Ų, N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine 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-(Phenylmethyl)-1,3-benzodioxole-5-methanamine?
The CAS number of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine is 4720-73-4.
What is the molecular formula of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine?
The molecular formula of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine is C15H15NO2.
What is the molecular weight of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine?
The molecular weight of N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine is 241.11 g/mol.
Where can I buy N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine?
You can request a quote for N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylmethyl)-1,3-benzodioxole-5-methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.