5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline

C107H125Cl9F27N9O7 — CID 158917760

About 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline

5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline (PubChem CID 158917760) has the molecular formula C107H125Cl9F27N9O7 and a molecular weight of 2481.26 g/mol. Its IUPAC name is 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline
• PubChem CID: 158917760
• Molecular Formula: C107H125Cl9F27N9O7
• Molecular Weight: 2481.26 g/mol
• Exact Mass: 2475.65
• IUPAC Name: 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline
• SMILES: CNCCOc1cc(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)cc1N(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1
• InChI: InChI=1S/2C14H17ClF3NO.2C13H15ClF3NO.C12H15ClF3NO.2C11H13ClF3NO.C10H11ClF3N.C9H9ClF3N/c2*1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;2*1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;2*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)15(2)3;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h2*8-9H,2-7H2,1H3;2*6-7,9,18H,2-5H2,1H3;6-7H,4-5H2,1-3H3;2*5-6,16H,3-4H2,1-2H3;4-5H,1-3H3;3-4,14H,1-2H3
• InChIKey: JHLGQCHRMMGWCP-UHFFFAOYSA-N
• XLogP: 33.46
• TPSA: 137.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2481.26
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline?

The IUPAC name of 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline (CID 158917760) is 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline.

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

The canonical SMILES for 5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline is CNCCOc1cc(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)cc1N(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OC1CCNCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.

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

The InChIKey is JHLGQCHRMMGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17ClF3NO.2C13H15ClF3NO.C12H15ClF3NO.2C11H13ClF3NO.C10H11ClF3N.C9H9ClF3N/c2*1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;2*1-8-6-10(13(15,16)17)11(14)7-12(8)19-9-2-4-18-5-3-9;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;2*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)15(2)3;1-5-3-6(9(11,12)13)7(10)4-8(5)14-2/h2*8-9H,2-7H2,1H3;2*6-7,9,18H,2-5H2,1H3;6-7H,4-5H2,1-3H3;2*5-6,16H,3-4H2,1-2H3;4-5H,1-3H3;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-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline?

5-chloro-N,2-dimethyl-4-(trifluoromethyl)aniline;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline has a molecular weight of 2481.26 g/mol, XLogP of 33.46, 26 rotatable bonds, 5 hydrogen bond donors, and 16 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-dimethylethanamine;bis(1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine);bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(4-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]piperidine);5-chloro-N,N,2-trimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 158917760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).