N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine

C116H121F13N10O14S4 — CID 160840210

About N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine

N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine (PubChem CID 160840210) has the molecular formula C116H121F13N10O14S4 and a molecular weight of 2254.54 g/mol. Its IUPAC name is N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine.

Molecular Properties

• Compound Name: N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine
• PubChem CID: 160840210
• Molecular Formula: C116H121F13N10O14S4
• Molecular Weight: 2254.54 g/mol
• Exact Mass: 2252.77
• IUPAC Name: N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine
• SMILES: CC1(C)Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N(S(=O)(=O)c2ccc(C#N)c(F)c2)C1.CCN(CC)CC.CCOc1cc(S(=O)(=O)N2CC(C)(C)Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)ccc1C#N.CCOc1cc(S(=O)(=O)N2CC(C)(C)Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)ccc1C1=NOC(=O)C1.CN.[H]/N=C(\CO)c1ccc(S(=O)(=O)N2CC(C)(C)Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1OCC
• InChI: InChI=1S/C29H27F3N2O5S.C28H29F3N2O4S.C27H25F3N2O3S.C25H20F4N2O2S.C6H15N.CH5N/c1-4-38-26-14-22(10-11-23(26)24-15-27(35)39-33-24)40(36,37)34-17-28(2,3)16-20-13-19(7-12-25(20)34)18-5-8-21(9-6-18)29(30,31)32;1-4-37-26-14-22(10-11-23(26)24(32)16-34)38(35,36)33-17-27(2,3)15-20-13-19(7-12-25(20)33)18-5-8-21(9-6-18)28(29,30)31;1-4-35-25-14-23(11-7-20(25)16-31)36(33,34)32-17-26(2,3)15-21-13-19(8-12-24(21)32)18-5-9-22(10-6-18)27(28,29)30;1-24(2)13-19-11-17(16-3-7-20(8-4-16)25(27,28)29)6-10-23(19)31(15-24)34(32,33)21-9-5-18(14-30)22(26)12-21;1-4-7(5-2)6-3;1-2/h5-14H,4,15-17H2,1-3H3;5-14,32,34H,4,15-17H2,1-3H3;5-14H,4,15,17H2,1-3H3;3-12H,13,15H2,1-2H3;4-6H2,1-3H3;2H2,1H3/b;32-24+
• InChIKey: SHXUPKXJAXFNSK-SSXVSZLKSA-N
• XLogP: 25.61
• TPSA: 336.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.54
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine?

The IUPAC name of N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine (CID 160840210) is N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine.

What is the SMILES notation for N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine?

The canonical SMILES for N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine is CC1(C)Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N(S(=O)(=O)c2ccc(C#N)c(F)c2)C1.CCN(CC)CC.CCOc1cc(S(=O)(=O)N2CC(C)(C)Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)ccc1C#N.CCOc1cc(S(=O)(=O)N2CC(C)(C)Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)ccc1C1=NOC(=O)C1.CN.[H]/N=C(\CO)c1ccc(S(=O)(=O)N2CC(C)(C)Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1OCC.

What is the InChIKey of N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine?

The InChIKey is SHXUPKXJAXFNSK-SSXVSZLKSA-N. The full InChI is InChI=1S/C29H27F3N2O5S.C28H29F3N2O4S.C27H25F3N2O3S.C25H20F4N2O2S.C6H15N.CH5N/c1-4-38-26-14-22(10-11-23(26)24-15-27(35)39-33-24)40(36,37)34-17-28(2,3)16-20-13-19(7-12-25(20)34)18-5-8-21(9-6-18)29(30,31)32;1-4-37-26-14-22(10-11-23(26)24(32)16-34)38(35,36)33-17-27(2,3)15-20-13-19(7-12-25(20)33)18-5-8-21(9-6-18)28(29,30)31;1-4-35-25-14-23(11-7-20(25)16-31)36(33,34)32-17-26(2,3)15-21-13-19(8-12-24(21)32)18-5-9-22(10-6-18)27(28,29)30;1-24(2)13-19-11-17(16-3-7-20(8-4-16)25(27,28)29)6-10-23(19)31(15-24)34(32,33)21-9-5-18(14-30)22(26)12-21;1-4-7(5-2)6-3;1-2/h5-14H,4,15-17H2,1-3H3;5-14,32,34H,4,15-17H2,1-3H3;5-14H,4,15,17H2,1-3H3;3-12H,13,15H2,1-2H3;4-6H2,1-3H3;2H2,1H3/b;32-24+;;;;.

What are the key properties of N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine?

N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine has a molecular weight of 2254.54 g/mol, XLogP of 25.61, 24 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethylethanamine;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxybenzonitrile;2-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-2-iminoethanol;3-[4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-ethoxyphenyl]-4H-1,2-oxazol-5-one;4-[[3,3-dimethyl-6-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinolin-1-yl]sulfonyl]-2-fluorobenzonitrile;methanamine is sourced from PubChem (CID 160840210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).