2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine

C188H198BrF3N10O4+8 — CID 159053885

About 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine

2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine (PubChem CID 159053885) has the molecular formula C188H198BrF3N10O4+8 and a molecular weight of 2798.62 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine
• PubChem CID: 159053885
• Molecular Formula: C188H198BrF3N10O4+8
• Molecular Weight: 2798.62 g/mol
• Exact Mass: 2795.47
• IUPAC Name: 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine
• SMILES: CCCCCCCCCOc1ccc2cc[n+](C)c(-c3cc(C(F)(F)F)ccc3C)c2c1.CCCCCCCCCOc1ccc2cc[n+](C)c(-c3ccccc3C)c2c1.COc1ccc(C)c(-c2c3ccccc3cc[n+]2C)c1.Cc1cc(Br)ccc1-c1cccn1C.Cc1ccccc1-c1c(C)ccc2ccccc12.Cc1ccccc1-c1c2cc(N(C)C)ccc2cc[n+]1C.Cc1ccccc1-c1c2cc(O)ccc2cc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C
• InChI: InChI=1S/C27H33F3NO.C26H34NO.C19H21N2.C18H18NO.C18H16.C17H15NO.3C17H16N.C12H12BrN/c1-4-5-6-7-8-9-10-17-32-23-14-12-21-15-16-31(3)26(25(21)19-23)24-18-22(27(28,29)30)13-11-20(24)2;1-4-5-6-7-8-9-12-19-28-23-16-15-22-17-18-27(3)26(25(22)20-23)24-14-11-10-13-21(24)2;1-14-7-5-6-8-17(14)19-18-13-16(20(2)3)10-9-15(18)11-12-21(19)4;1-13-8-9-15(20-3)12-17(13)18-16-7-5-4-6-14(16)10-11-19(18)2;1-13-7-3-5-9-16(13)18-14(2)11-12-15-8-4-6-10-17(15)18;1-12-5-3-4-6-15(12)17-16-11-14(19)8-7-13(16)9-10-18(17)2;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;2*1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-9-8-10(13)5-6-11(9)12-4-3-7-14(12)2/h11-16,18-19H,4-10,17H2,1-3H3;10-11,13-18,20H,4-9,12,19H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3;3-12H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;3-8H,1-2H3/q4*+1;;;3*+1;/p+1
• InChIKey: ZYBXNOUSXXAJGK-UHFFFAOYSA-O
• XLogP: 45.06
• TPSA: 87.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2798.62
LogP ≤ 5	45.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine?

The IUPAC name of 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine (CID 159053885) is 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine.

What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine?

The canonical SMILES for 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine is CCCCCCCCCOc1ccc2cc[n+](C)c(-c3cc(C(F)(F)F)ccc3C)c2c1.CCCCCCCCCOc1ccc2cc[n+](C)c(-c3ccccc3C)c2c1.COc1ccc(C)c(-c2c3ccccc3cc[n+]2C)c1.Cc1cc(Br)ccc1-c1cccn1C.Cc1ccccc1-c1c(C)ccc2ccccc12.Cc1ccccc1-c1c2cc(N(C)C)ccc2cc[n+]1C.Cc1ccccc1-c1c2cc(O)ccc2cc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.

What is the InChIKey of 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine?

The InChIKey is ZYBXNOUSXXAJGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H33F3NO.C26H34NO.C19H21N2.C18H18NO.C18H16.C17H15NO.3C17H16N.C12H12BrN/c1-4-5-6-7-8-9-10-17-32-23-14-12-21-15-16-31(3)26(25(21)19-23)24-18-22(27(28,29)30)13-11-20(24)2;1-4-5-6-7-8-9-12-19-28-23-16-15-22-17-18-27(3)26(25(22)20-23)24-14-11-10-13-21(24)2;1-14-7-5-6-8-17(14)19-18-13-16(20(2)3)10-9-15(18)11-12-21(19)4;1-13-8-9-15(20-3)12-17(13)18-16-7-5-4-6-14(16)10-11-19(18)2;1-13-7-3-5-9-16(13)18-14(2)11-12-15-8-4-6-10-17(15)18;1-12-5-3-4-6-15(12)17-16-11-14(19)8-7-13(16)9-10-18(17)2;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;2*1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-9-8-10(13)5-6-11(9)12-4-3-7-14(12)2/h11-16,18-19H,4-10,17H2,1-3H3;10-11,13-18,20H,4-9,12,19H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3;3-12H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;3-8H,1-2H3/q4*+1;;;3*+1;/p+1.

What are the key properties of 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine?

2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine has a molecular weight of 2798.62 g/mol, XLogP of 45.06, 30 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine is sourced from PubChem (CID 159053885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).