5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene

C219H323ClF2N8O8S2 — CID 167633081

About 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene

5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene (PubChem CID 167633081) has the molecular formula C219H323ClF2N8O8S2 and a molecular weight of 3333.62 g/mol. Its IUPAC name is 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene
• PubChem CID: 167633081
• Molecular Formula: C219H323ClF2N8O8S2
• Molecular Weight: 3333.62 g/mol
• Exact Mass: 3330.42
• IUPAC Name: 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene
• SMILES: CC(C)C1CC1.CC(C)C1CC2CCC1C2.CC(C)C1CCCCC1.CC(C)OC(C)c1ccccc1.CC(C)c1ccc(C(C)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccsc1.CC1=NC(c2ccc(C(C)C)s2)=NC1.CCN(CC)c1ccc(C(C)C)cc1.CCOC(=O)Cc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cc1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C13H20N2.C13H21N.C12H17NO2.C12H15N.C11H15F.C11H14N2S.C11H17N.4C11H16O.C10H12ClFO.C10H14O.C10H18.4C10H14.C9H18.C7H10S.C6H12/c1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-5-14(6-2)13-9-7-12(8-10-13)11(3)4;1-4-15-12(14)7-11-6-5-10(8-13-11)9(2)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)9-4-5-10(14-9)11-12-6-8(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-6/h6-7,10-11H,3-5,8-9H2,1-2H3;7-11H,5-6H2,1-4H3;5-6,8-9H,4,7H2,1-3H3;4-9H,1-3H3;4-9H,1-3H3;4-5,7H,6H2,1-3H3;5-9H,1-4H3;2*5-8H,1-4H3;4-10H,1-3H3;5-9H,4H2,1-3H3;4-6H,1-3H3;4-8H,1-3H3;7-10H,3-6H2,1-2H3;4*4-8H,1-3H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: OBWXXDZHISALKM-UHFFFAOYSA-N
• XLogP: 65.04
• TPSA: 146.83 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 39
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3333.62
LogP ≤ 5	65.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene?

The IUPAC name of 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene (CID 167633081) is 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene.

What is the SMILES notation for 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene?

The canonical SMILES for 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene is CC(C)C1CC1.CC(C)C1CC2CCC1C2.CC(C)C1CCCCC1.CC(C)OC(C)c1ccccc1.CC(C)c1ccc(C(C)F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cccc2c1ccn2C.CC(C)c1ccsc1.CC1=NC(c2ccc(C(C)C)s2)=NC1.CCN(CC)c1ccc(C(C)C)cc1.CCOC(=O)Cc1ccc(C(C)C)cn1.CCOc1ccc(C(C)C)cc1.COc1c(C)cccc1C(C)C.COc1c(F)cc(Cl)cc1C(C)C.COc1cc(C)ccc1C(C)C.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.

What is the InChIKey of 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene?

The InChIKey is OBWXXDZHISALKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C13H21N.C12H17NO2.C12H15N.C11H15F.C11H14N2S.C11H17N.4C11H16O.C10H12ClFO.C10H14O.C10H18.4C10H14.C9H18.C7H10S.C6H12/c1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-5-14(6-2)13-9-7-12(8-10-13)11(3)4;1-4-15-12(14)7-11-6-5-10(8-13-11)9(2)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)9-4-5-10(14-9)11-12-6-8(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)10-7-5-6-9(3)11(10)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)8-4-7(11)5-9(12)10(8)13-3;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)10-6-8-3-4-9(10)5-8;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-6/h6-7,10-11H,3-5,8-9H2,1-2H3;7-11H,5-6H2,1-4H3;5-6,8-9H,4,7H2,1-3H3;4-9H,1-3H3;4-9H,1-3H3;4-5,7H,6H2,1-3H3;5-9H,1-4H3;2*5-8H,1-4H3;4-10H,1-3H3;5-9H,4H2,1-3H3;4-6H,1-3H3;4-8H,1-3H3;7-10H,3-6H2,1-2H3;4*4-8H,1-3H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3.

What are the key properties of 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene?

5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene has a molecular weight of 3333.62 g/mol, XLogP of 65.04, 39 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-fluoro-2-methoxy-3-propan-2-ylbenzene;N,N-diethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-ethoxy-4-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(1-fluoroethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;5-methyl-2-(5-propan-2-ylthiophen-2-yl)-4H-imidazole;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclohexane;propan-2-ylcyclopropane;1-propan-2-yloxyethylbenzene;3-propan-2-ylthiophene is sourced from PubChem (CID 167633081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).