cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl
TL;DR: cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl (CAS 72575-51-0) is a chemical compound with molecular formula C19H21ClF3NO and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,7S)-N-methyl-5-[4-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine;hydrochloride
Also Known As: cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N-methyl-5-(4-(trifluoromethyl)phenoxy)-hydrochloride, cis-, (5S,7S)-N-methyl-5-[4-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine hydrochloride, (5S,7S)-N-Methyl-5-[4-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine--hydrogen chloride (1/1), RefChem:305343
| Molecular Formula | C19H21ClF3NO |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 5.1716 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.12637 |
| Heavy Atoms | 25 |
| Complexity | 687.8137 |
Chemical Identifiers
| CAS Number | 72575-51-0 |
|---|---|
| SMILES | CN[C@H]1CCC2=CC=CC=C2[C@H](C1)OC3=CC=C(C=C3)C(F)(F)F.Cl |
Product Overview
cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl (CAS 72575-51-0), with molecular formula C19H21ClF3NO and molecular weight 371.13 g/mol. IUPAC: (5S,7S)-N-methyl-5-[4-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine;hydrochloride.
Chemical Property Profile of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl
Property Insights of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl
The XLogP value of 5.1716 indicates that cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl?
The CAS number of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl is 72575-51-0.
What is the molecular formula of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl?
The molecular formula of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl is C19H21ClF3NO.
What is the molecular weight of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl?
The molecular weight of cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl is 371.13 g/mol.
Where can I buy cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl?
You can request a quote for cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl?
Yes, KEHONG BIO provides custom synthesis services for cis-N-Methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.