3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C102H141Cl3F21N9O7 — CID 157280440

About 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 157280440) has the molecular formula C102H141Cl3F21N9O7 and a molecular weight of 2110.62 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
• PubChem CID: 157280440
• Molecular Formula: C102H141Cl3F21N9O7
• Molecular Weight: 2110.62 g/mol
• Exact Mass: 2107.97
• IUPAC Name: 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
• SMILES: CCN(CC)CCOc1cc(Cl)c(C(F)(F)F)cc1C.CCN(CC)CCOc1ccc(C(F)(F)F)cc1C.COCCN(C)c1ccc(C(F)(F)F)cc1C.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)ccc1OCCN(C)C.Cc1cc(C(F)(F)F)ccc1OCCN(C)C.Cc1cc(C)c(OCCCN(C)C)cc1Cl
• InChI: InChI=1S/C14H19ClF3NO.C14H20F3NO.C13H20ClNO.C13H19F3N2.C12H15ClF3NO.3C12H16F3NO/c1-4-19(5-2)6-7-20-13-9-12(15)11(8-10(13)3)14(16,17)18;1-4-18(5-2)8-9-19-13-7-6-12(10-11(13)3)14(15,16)17;1-10-8-11(2)13(9-12(10)14)16-7-5-6-15(3)4;1-10-9-11(13(14,15)16)5-6-12(10)18(4)8-7-17(2)3;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;2*1-9-8-10(12(13,14)15)4-5-11(9)17-7-6-16(2)3/h8-9H,4-7H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;8-9H,5-7H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-7H,4-5H2,1-3H3;3*4-5,8H,6-7H2,1-3H3
• InChIKey: AZPHALJQWCVLEE-UHFFFAOYSA-N
• XLogP: 27.03
• TPSA: 93.77 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.62
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	0
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 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

The IUPAC name of 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 157280440) is 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

What is the SMILES notation for 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

The canonical SMILES for 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCN(CC)CCOc1cc(Cl)c(C(F)(F)F)cc1C.CCN(CC)CCOc1ccc(C(F)(F)F)cc1C.COCCN(C)c1ccc(C(F)(F)F)cc1C.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)ccc1OCCN(C)C.Cc1cc(C(F)(F)F)ccc1OCCN(C)C.Cc1cc(C)c(OCCCN(C)C)cc1Cl.

What is the InChIKey of 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

The InChIKey is AZPHALJQWCVLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NO.C14H20F3NO.C13H20ClNO.C13H19F3N2.C12H15ClF3NO.3C12H16F3NO/c1-4-19(5-2)6-7-20-13-9-12(15)11(8-10(13)3)14(16,17)18;1-4-18(5-2)8-9-19-13-7-6-12(10-11(13)3)14(15,16)17;1-10-8-11(2)13(9-12(10)14)16-7-5-6-15(3)4;1-10-9-11(13(14,15)16)5-6-12(10)18(4)8-7-17(2)3;1-8-6-9(12(14,15)16)10(13)7-11(8)18-5-4-17(2)3;1-9-8-10(12(13,14)15)4-5-11(9)16(2)6-7-17-3;2*1-9-8-10(12(13,14)15)4-5-11(9)17-7-6-16(2)3/h8-9H,4-7H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;8-9H,5-7H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-7H,4-5H2,1-3H3;3*4-5,8H,6-7H2,1-3H3.

What are the key properties of 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine?

3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 2110.62 g/mol, XLogP of 27.03, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2,4-dimethylphenoxy)-N,N-dimethylpropan-1-amine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-diethylethanamine;2-[5-chloro-2-methyl-4-(trifluoromethyl)phenoxy]-N,N-dimethylethanamine;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;bis(N,N-dimethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine);N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N,N,N'-trimethyl-N'-[2-methyl-4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 157280440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).