N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
TL;DR: N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine (CAS 50683-75-5) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
Also Known As: ChemDiv2_000858, Ethyl-isochroman-1-ylmethyl-amine, N-(isochroman-1-ylmethyl)ethanamine, N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine, 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-ethyl-
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 1.9099 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 298.12814 |
Chemical Identifiers
| CAS Number | 50683-75-5 |
|---|---|
| SMILES | CCNCC1C2=CC=CC=C2CCO1 |
Product Overview
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine (CAS 50683-75-5), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine.
Chemical Property Profile of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
Property Insights of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
The XLogP value of 1.9099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine. With a topological polar surface area (TPSA) of 21.26 Ų, N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-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-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine?
The CAS number of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine is 50683-75-5.
What is the molecular formula of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine?
The molecular formula of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine is C12H17NO.
What is the molecular weight of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine?
The molecular weight of N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine is 191.13 g/mol.
Where can I buy N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine?
You can request a quote for N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.