1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine

C164H249BrN8O4 — CID 162161188

About 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine

1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 162161188) has the molecular formula C164H249BrN8O4 and a molecular weight of 2476.75 g/mol. Its IUPAC name is 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

• Compound Name: 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
• PubChem CID: 162161188
• Molecular Formula: C164H249BrN8O4
• Molecular Weight: 2476.75 g/mol
• Exact Mass: 2473.87
• IUPAC Name: 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
• SMILES: CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1ccccc1Br.CC(C)c1ccccc1N1CCCC1.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1N1CCCC1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc2c(c1C(C)C)C=CC2
• InChI: InChI=1S/C16H27NO.C15H22O.2C15H24O.C13H19N.C13H17N.C13H16.C13H20.C12H18N2.3C10H17N.C9H11Br/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;2*1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-7(2)9-5-11-6-10(9)8(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)8-5-3-4-6-9(8)10/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;2*7-8,10-12H,6,9H2,1-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;5-8,11H,1-4H3;3-7H,1-2H3
• InChIKey: ZMMUGXXFMIHYAI-UHFFFAOYSA-N
• XLogP: 47.73
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 37
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.75
LogP ≤ 5	47.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?

The IUPAC name of 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 162161188) is 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.

What is the SMILES notation for 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?

The canonical SMILES for 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)C1=C(C(C)C)CN=C1.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1ccccc1Br.CC(C)c1ccccc1N1CCCC1.CC(C)c1cccn1C(C)C.CC(C)c1cccnc1N1CCCC1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCc1cccc(CC)c1C(C)C.Cc1ccc2c(c1C(C)C)C=CC2.

What is the InChIKey of 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?

The InChIKey is ZMMUGXXFMIHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H22O.2C15H24O.C13H19N.C13H17N.C13H16.C13H20.C12H18N2.3C10H17N.C9H11Br/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;2*1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-7(2)9-5-11-6-10(9)8(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)8-5-3-4-6-9(8)10/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;2*7-8,10-12H,6,9H2,1-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;4,6-9H,5H2,1-3H3;7-10H,5-6H2,1-4H3;5-7,10H,3-4,8-9H2,1-2H3;5,7-8H,6H2,1-4H3;5-9H,1-4H3;5-8,11H,1-4H3;3-7H,1-2H3.

What are the key properties of 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?

1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 2476.75 g/mol, XLogP of 47.73, 37 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-propan-2-ylbenzene;1,3-diethyl-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,2-di(propan-2-yl)pyrrole;2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;5-methyl-4-propan-2-yl-1H-indene;1-(2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 162161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).