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

C122H155Cl4F30N11O9 — CID 161118883

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

2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 161118883) has the molecular formula C122H155Cl4F30N11O9 and a molecular weight of 2631.40 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
• PubChem CID: 161118883
• Molecular Formula: C122H155Cl4F30N11O9
• Molecular Weight: 2631.40 g/mol
• Exact Mass: 2628.03
• IUPAC Name: 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
• SMILES: CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1ccc(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)ccc1N(C)CCN(C)C.Cc1cc(C(F)(F)F)ccc1OC1CCNCC1.Cc1cc(C(F)(F)F)ccc1OC1CCNCC1.Cc1cc(C(F)(F)F)ccc1OCCN(C)C.Cc1cc(C(F)(F)F)ccc1OCCN(C)C
• InChI: InChI=1S/C14H17ClF3NO.C13H19F3N2.2C13H16F3NO.C12H15ClF3NO.2C12H16F3NO.2C11H13ClF3NO.C11H14F3NO/c1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-10-9-11(13(14,15)16)5-6-12(10)18(4)8-7-17(2)3;2*1-9-8-10(13(14,15)16)2-3-12(9)18-11-4-6-17-7-5-11;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;2*1-9-8-10(12(13,14)15)4-5-11(9)17-7-6-16(2)3;2*1-7-5-8(11(13,14)15)9(12)6-10(7)17-4-3-16-2;1-8-7-9(11(12,13)14)3-4-10(8)16-6-5-15-2/h8-9H,2-7H2,1H3;5-6,9H,7-8H2,1-4H3;2*2-3,8,11,17H,4-7H2,1H3;6-7H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;2*5-6,16H,3-4H2,1-2H3;3-4,7,15H,5-6H2,1-2H3
• InChIKey: UKRLQILITDBPTI-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 162.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2631.40
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

The IUPAC name of 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 161118883) is 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

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

The canonical SMILES for 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1ccc(C(F)(F)F)cc1C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN1CCCC1.Cc1cc(C(F)(F)F)ccc1N(C)CCN(C)C.Cc1cc(C(F)(F)F)ccc1OC1CCNCC1.Cc1cc(C(F)(F)F)ccc1OC1CCNCC1.Cc1cc(C(F)(F)F)ccc1OCCN(C)C.Cc1cc(C(F)(F)F)ccc1OCCN(C)C.

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

The InChIKey is UKRLQILITDBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO.C13H19F3N2.2C13H16F3NO.C12H15ClF3NO.2C12H16F3NO.2C11H13ClF3NO.C11H14F3NO/c1-10-8-11(14(16,17)18)12(15)9-13(10)20-7-6-19-4-2-3-5-19;1-10-9-11(13(14,15)16)5-6-12(10)18(4)8-7-17(2)3;2*1-9-8-10(13(14,15)16)2-3-12(9)18-11-4-6-17-7-5-11;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;2*1-9-8-10(12(13,14)15)4-5-11(9)17-7-6-16(2)3;2*1-7-5-8(11(13,14)15)9(12)6-10(7)17-4-3-16-2;1-8-7-9(11(12,13)14)3-4-10(8)16-6-5-15-2/h8-9H,2-7H2,1H3;5-6,9H,7-8H2,1-4H3;2*2-3,8,11,17H,4-7H2,1H3;6-7H,4-5H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;2*5-6,16H,3-4H2,1-2H3;3-4,7,15H,5-6H2,1-2H3.

What are the key properties of 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 2631.40 g/mol, XLogP of 32.10, 36 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;bis(2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine);bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 161118883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).