1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine

C155H227ClFN9O2 — CID 158982006

About 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine

1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine (PubChem CID 158982006) has the molecular formula C155H227ClFN9O2 and a molecular weight of 2303.03 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine
• PubChem CID: 158982006
• Molecular Formula: C155H227ClFN9O2
• Molecular Weight: 2303.03 g/mol
• Exact Mass: 2300.76
• IUPAC Name: 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine
• SMILES: CC(C)c1ccc(C(C)(C)C)cc1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1cc(C)c(C(C)C)cn1.Cc1cc(C2CC2)ccc1C(C)C.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1cnc(C(C)C)c(CF)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(N(C)C)c1
• InChI: InChI=1S/C13H18.C13H20.2C12H19N.C11H18N2.C11H13N.2C11H16O.2C11H16.C10H14FN.2C10H15N.C9H12ClN/c1-9(2)13-7-6-12(8-10(13)3)11-4-5-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;2*1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-8(2)11-10(13(4)5)6-9(3)7-12-11;1-8(2)11-5-4-9(3)6-10(11)7-12;2*1-8(2)10-6-5-9(3)7-11(10)12-4;2*1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-9(5-11)4-8(3)6-12-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)9-8(10)4-7(3)5-11-9/h6-9,11H,4-5H2,1-3H3;6-10H,1-5H3;2*6-9H,1-5H3;6-8H,1-5H3;4-6,8H,1-3H3;2*5-8H,1-4H3;2*5-8H,1-4H3;4,6-7H,5H2,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3
• InChIKey: JPCSMHVLYNICLA-UHFFFAOYSA-N
• XLogP: 44.94
• TPSA: 116.42 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2303.03
LogP ≤ 5	44.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine?

The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine (CID 158982006) is 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine.

What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine?

The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine is CC(C)c1ccc(C(C)(C)C)cc1.COc1cc(C)ccc1C(C)C.COc1cc(C)ccc1C(C)C.Cc1cc(C)c(C(C)C)cn1.Cc1cc(C2CC2)ccc1C(C)C.Cc1ccc(C(C)C)c(C#N)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1ccc(C(C)C)c(N(C)C)c1.Cc1cnc(C(C)C)c(CF)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(N(C)C)c1.

What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine?

The InChIKey is JPCSMHVLYNICLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C13H20.2C12H19N.C11H18N2.C11H13N.2C11H16O.2C11H16.C10H14FN.2C10H15N.C9H12ClN/c1-9(2)13-7-6-12(8-10(13)3)11-4-5-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;2*1-9(2)11-7-6-10(3)8-12(11)13(4)5;1-8(2)11-10(13(4)5)6-9(3)7-12-11;1-8(2)11-5-4-9(3)6-10(11)7-12;2*1-8(2)10-6-5-9(3)7-11(10)12-4;2*1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)10-9(5-11)4-8(3)6-12-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)9-8(10)4-7(3)5-11-9/h6-9,11H,4-5H2,1-3H3;6-10H,1-5H3;2*6-9H,1-5H3;6-8H,1-5H3;4-6,8H,1-3H3;2*5-8H,1-4H3;2*5-8H,1-4H3;4,6-7H,5H2,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3.

What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine?

1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine has a molecular weight of 2303.03 g/mol, XLogP of 44.94, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 158982006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).