1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole

C151H209Cl3F3N9O5 — CID 167571759

About 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole

1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole (PubChem CID 167571759) has the molecular formula C151H209Cl3F3N9O5 and a molecular weight of 2393.74 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole
• PubChem CID: 167571759
• Molecular Formula: C151H209Cl3F3N9O5
• Molecular Weight: 2393.74 g/mol
• Exact Mass: 2390.54
• IUPAC Name: 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole
• SMILES: CC(C)C1=CC(c2ccn[nH]2)=CCC1.CC(C)c1cc(C(=O)N2CCCC2C)ccn1.CC(C)c1cc(C(=O)N2CCCCC2)ccn1.CC(C)c1ccc(Cl)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N)c1.COc1c(C(C)C)cccc1C(F)(F)F.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)[nH]c(=O)c1.Cc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/2C14H20N2O.C12H16N2.C12H18.C11H13F3O.C11H17N.C11H16.C10H13Cl.C10H14O.C10H14.2C9H11Cl.C9H13NO.C9H13N/c1-10(2)13-9-12(6-7-15-13)14(17)16-8-4-5-11(16)3;1-11(2)13-10-12(6-7-15-13)14(17)16-8-4-3-5-9-16;1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12;1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(2)8-5-4-6-9(10(8)15-3)11(12,13)14;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-4-7(3)5-9(11)10-8;1-7(2)8-4-3-5-9(10)6-8/h6-7,9-11H,4-5,8H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;5-9H,3-4H2,1-2H3,(H,13,14);5-10H,1-4H3;4-7H,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3,(H,10,11);3-7H,10H2,1-2H3
• InChIKey: FZQCUYHPAIPFRI-UHFFFAOYSA-N
• XLogP: 43.74
• TPSA: 175.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2393.74
LogP ≤ 5	43.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole?

The IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole (CID 167571759) is 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole.

What is the SMILES notation for 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole?

The canonical SMILES for 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole is CC(C)C1=CC(c2ccn[nH]2)=CCC1.CC(C)c1cc(C(=O)N2CCCC2C)ccn1.CC(C)c1cc(C(=O)N2CCCCC2)ccn1.CC(C)c1ccc(Cl)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N)c1.COc1c(C(C)C)cccc1C(F)(F)F.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)[nH]c(=O)c1.Cc1cc(C(C)C)ccc1Cl.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.

What is the InChIKey of 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole?

The InChIKey is FZQCUYHPAIPFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H20N2O.C12H16N2.C12H18.C11H13F3O.C11H17N.C11H16.C10H13Cl.C10H14O.C10H14.2C9H11Cl.C9H13NO.C9H13N/c1-10(2)13-9-12(6-7-15-13)14(17)16-8-4-5-11(16)3;1-11(2)13-10-12(6-7-15-13)14(17)16-8-4-3-5-9-16;1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12;1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(2)8-5-4-6-9(10(8)15-3)11(12,13)14;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-4-7(3)5-9(11)10-8;1-7(2)8-4-3-5-9(10)6-8/h6-7,9-11H,4-5,8H2,1-3H3;6-7,10-11H,3-5,8-9H2,1-2H3;5-9H,3-4H2,1-2H3,(H,13,14);5-10H,1-4H3;4-7H,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3,(H,10,11);3-7H,10H2,1-2H3.

What are the key properties of 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole?

1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole has a molecular weight of 2393.74 g/mol, XLogP of 43.74, 21 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylaniline;1,2-dimethyl-4-propan-2-ylbenzene;1,3-di(propan-2-yl)benzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;4-methyl-6-propan-2-yl-1H-pyridin-2-one;(2-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone;piperidin-1-yl-(2-propan-2-yl-4-pyridinyl)methanone;3-propan-2-ylaniline;5-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-1H-pyrazole is sourced from PubChem (CID 167571759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).