5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine

C99H119Cl8F24N9O8 — CID 158373707

About 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine

5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine (PubChem CID 158373707) has the molecular formula C99H119Cl8F24N9O8 and a molecular weight of 2302.67 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

• Compound Name: 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine
• PubChem CID: 158373707
• Molecular Formula: C99H119Cl8F24N9O8
• Molecular Weight: 2302.67 g/mol
• Exact Mass: 2297.63
• IUPAC Name: 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine
• SMILES: CCN(CC)CCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNc1cc(Cl)c(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCOCC1
• InChI: InChI=1S/C14H18ClF3N2O.C14H17ClF3NO2.C14H17ClF3NO.C14H19ClF3NO.C13H15ClF3NO.C11H13ClF3NO.C10H11ClF3NO.C9H9ClF3N/c1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-6-20-4-2-19-3-5-20;1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-4-19-2-5-20-6-3-19;1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-4-19(5-2)6-7-20-13-9-12(15)11(8-10(13)3)14(16,17)18;1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;1-7-5-8(11(13,14)15)9(12)6-10(7)17-4-3-16-2;1-6-4-7(10(12,13)14)8(11)5-9(6)16-3-2-15;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h8-9,19H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,4-7H2,1-3H3;6-7,9,18H,2-5H2,1H3;5-6,16H,3-4H2,1-2H3;4-5H,2-3,15H2,1H3;3-4,14H,1-2H3
• InChIKey: GUXYUPCIUYTING-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 160.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2302.67
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine?

The IUPAC name of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine (CID 158373707) is 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine.

What is the SMILES notation for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine?

The canonical SMILES for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine is CCN(CC)CCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNc1cc(Cl)c(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCOCC1.

What is the InChIKey of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine?

The InChIKey is GUXYUPCIUYTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O.C14H17ClF3NO2.C14H17ClF3NO.C14H19ClF3NO.C13H15ClF3NO.C11H13ClF3NO.C10H11ClF3NO.C9H9ClF3N/c1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-6-20-4-2-19-3-5-20;1-10-8-11(14(16,17)18)12(15)9-13(10)21-7-4-19-2-5-20-6-3-19;1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-4-19(5-2)6-7-20-13-9-12(15)11(8-10(13)3)14(16,17)18;1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;1-7-5-8(11(13,14)15)9(12)6-10(7)17-4-3-16-2;1-6-4-7(10(12,13)14)8(11)5-9(6)16-3-2-15;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h8-9,19H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,4-7H2,1-3H3;6-7,9,18H,2-5H2,1H3;5-6,16H,3-4H2,1-2H3;4-5H,2-3,15H2,1H3;3-4,14H,1-2H3.

What are the key properties of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine?

5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 2302.67 g/mol, XLogP of 28.64, 28 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;4-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]morpholine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 158373707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).