2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C100H132Cl3F24N9O7 — CID 158416593

About 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 158416593) has the molecular formula C100H132Cl3F24N9O7 and a molecular weight of 2134.52 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
• PubChem CID: 158416593
• Molecular Formula: C100H132Cl3F24N9O7
• Molecular Weight: 2134.52 g/mol
• Exact Mass: 2131.89
• IUPAC Name: 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
• SMILES: CCN(C)CCOc1ccc(C(F)(F)F)cc1C.CCN(C)CCOc1ccc(C(F)(F)F)cc1C.CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1ccc(C(F)(F)F)c(C)c1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)ccc1N(C)CCN(C)C.Cc1cc(C(F)(F)F)ccc1OCCNC(C)C.Cc1cc(OCCN2CCCC2)cc(Cl)c1C(F)(F)F
• InChI: InChI=1S/C14H17ClF3NO.C13H19F3N2.3C13H18F3NO.C12H15ClF3NO.C11H13ClF3NO.C11H14F3NO/c1-10-8-11(9-12(15)13(10)14(16,17)18)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;1-9(2)17-6-7-18-12-5-4-11(8-10(12)3)13(14,15)16;2*1-4-17(3)7-8-18-12-6-5-11(9-10(12)2)13(14,15)16;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-7-5-8(11(13,14)15)9(12)6-10(7)17-4-3-16-2;1-8-7-9(16-6-5-15-2)3-4-10(8)11(12,13)14/h8-9H,2-7H2,1H3;5-6,9H,7-8H2,1-4H3;4-5,8-9,17H,6-7H2,1-3H3;2*5-6,9H,4,7-8H2,1-3H3;6-7H,4-5H2,1-3H3;5-6,16H,3-4H2,1-2H3;3-4,7,15H,5-6H2,1-2H3
• InChIKey: GZYXBZAAVKWFIY-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 120.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.52
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	3
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 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 158416593) is 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCN(C)CCOc1ccc(C(F)(F)F)cc1C.CCN(C)CCOc1ccc(C(F)(F)F)cc1C.CNCCOc1cc(Cl)c(C(F)(F)F)cc1C.CNCCOc1ccc(C(F)(F)F)c(C)c1.Cc1cc(C(F)(F)F)c(Cl)cc1OCCN(C)C.Cc1cc(C(F)(F)F)ccc1N(C)CCN(C)C.Cc1cc(C(F)(F)F)ccc1OCCNC(C)C.Cc1cc(OCCN2CCCC2)cc(Cl)c1C(F)(F)F.

What is the InChIKey of 2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

The InChIKey is GZYXBZAAVKWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO.C13H19F3N2.3C13H18F3NO.C12H15ClF3NO.C11H13ClF3NO.C11H14F3NO/c1-10-8-11(9-12(15)13(10)14(16,17)18)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;1-9(2)17-6-7-18-12-5-4-11(8-10(12)3)13(14,15)16;2*1-4-17(3)7-8-18-12-6-5-11(9-10(12)2)13(14,15)16;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-7-5-8(11(13,14)15)9(12)6-10(7)17-4-3-16-2;1-8-7-9(16-6-5-15-2)3-4-10(8)11(12,13)14/h8-9H,2-7H2,1H3;5-6,9H,7-8H2,1-4H3;4-5,8-9,17H,6-7H2,1-3H3;2*5-6,9H,4,7-8H2,1-3H3;6-7H,4-5H2,1-3H3;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 2134.52 g/mol, XLogP of 26.72, 35 rotatable bonds, 3 hydrogen bond donors, and 16 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-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N-methylethanamine;bis(N-ethyl-N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-methyl-2-[3-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 158416593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).