N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
TL;DR: N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine (CAS 175277-91-5) is a chemical compound with molecular formula C10H13F3N2 and molecular weight 218.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
Also Known As: 3-amino-4-(isopropylamino)benzotrifluoride, N1-Isopropyl-4-(trifluoromethyl)benzene-1,2-diamine, buttpark 44\09-65, isopropyltrifluoromethylbenzenediamine, 3-Amino-4-isopropylaminobenzotrifluoride
| Molecular Formula | C10H13F3N2 |
|---|---|
| Molecular Weight | 218.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10309 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 175277-91-5 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1)C(F)(F)F)N |
| InChIKey | ZNVHJHXDEMIHDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine (CAS 175277-91-5), with molecular formula C10H13F3N2 and molecular weight 218.10 g/mol. IUPAC: 1-N-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
Property Insights of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine. With a topological polar surface area (TPSA) of 38.1 Ų, N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine has 2 hydrogen bond donor(s) and 5 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~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The CAS number of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is 175277-91-5.
What is the molecular formula of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The molecular formula of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is C10H13F3N2.
What is the molecular weight of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
The molecular weight of N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine is 218.10 g/mol.
Where can I buy N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
You can request a quote for N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.