1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene

C348H435BrN8O19S4 — CID 158675512

IUPAC1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene
SMILESCC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(N(C)C)c2ccccc12.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1cccs1.CCCOc1c(C(C)C)cc2c3c1CCCN3CCC2.CCCOc1cc(N(CC)CC)ccc1C(C)C.CCOC(=O)c1ccc(C(C)C)cc1.CCn1c2ccccc2c2cc(C(C)C)ccc21.COc1cc(OC)c(C(C)C)c(OC)c1.COc1ccc(C(C)C)c(OC)c1.COc1ccc(C(C)C)c2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1OC.COc1ccc(OC)c(C(C)C)c1.COc1ccc2cc(C(C)C)ccc2c1.COc1ccc2ccccc2c1C(C)C.COc1ccccc1C(C)C.CSc1ccc(C(C)C)cc1.Cc1ccc(-c2ccc(C(C)C)s2)s1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H19N.C21H21N.C19H16.C18H27NO.C17H19N.C16H27NO.C15H19N.3C14H16O.2C13H14.C12H18O3.C12H16O2.C12H14S2.C11H17N.3C11H16O2.C10H11N.2C10H14O.C10H14S.C10H14.C9H11Br.C7H10O.C7H10S/c1-15(2)16-11-13-17(14-12-16)22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22;1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;1-4-11-20-18-15-8-6-10-19-9-5-7-14(17(15)19)12-16(18)13(2)3;1-4-18-16-8-6-5-7-14(16)15-11-13(12(2)3)9-10-17(15)18;1-6-11-18-16-12-14(17(7-2)8-3)9-10-15(16)13(4)5;1-11(2)12-9-10-15(16(3)4)14-8-6-5-7-13(12)14;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)12-10(14-4)6-9(13-3)7-11(12)15-5;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-8(2)10-6-7-12(14-10)11-5-4-9(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;2*1-6(2)7-4-3-5-8-7/h3-15H,1-2H3;3-17H,1-2H3;3-12H,1-2H3;12-13H,4-11H2,1-3H3;5-12H,4H2,1-3H3;9-10,12-13H,6-8,11H2,1-5H3;5-11H,1-4H3;3*4-10H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;5-9H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;3*5-8H,1-4H3;3-6,8H,1-2H3;3*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyIELSWAXYFXHELZ-UHFFFAOYSA-N
MW5242.52 g/mol
LogP101.35
Rot. Bonds61

About 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene

1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene (PubChem CID 158675512) has the molecular formula C348H435BrN8O19S4 and a molecular weight of 5242.52 g/mol. Its IUPAC name is 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene
PubChem CID158675512
Molecular FormulaC348H435BrN8O19S4
Molecular Weight5242.52 g/mol
Exact Mass5237.14
IUPAC Name1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene
SMILESCC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(N(C)C)c2ccccc12.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1cccs1.CCCOc1c(C(C)C)cc2c3c1CCCN3CCC2.CCCOc1cc(N(CC)CC)ccc1C(C)C.CCOC(=O)c1ccc(C(C)C)cc1.CCn1c2ccccc2c2cc(C(C)C)ccc21.COc1cc(OC)c(C(C)C)c(OC)c1.COc1ccc(C(C)C)c(OC)c1.COc1ccc(C(C)C)c2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1OC.COc1ccc(OC)c(C(C)C)c1.COc1ccc2cc(C(C)C)ccc2c1.COc1ccc2ccccc2c1C(C)C.COc1ccccc1C(C)C.CSc1ccc(C(C)C)cc1.Cc1ccc(-c2ccc(C(C)C)s2)s1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H19N.C21H21N.C19H16.C18H27NO.C17H19N.C16H27NO.C15H19N.3C14H16O.2C13H14.C12H18O3.C12H16O2.C12H14S2.C11H17N.3C11H16O2.C10H11N.2C10H14O.C10H14S.C10H14.C9H11Br.C7H10O.C7H10S/c1-15(2)16-11-13-17(14-12-16)22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22;1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;1-4-11-20-18-15-8-6-10-19-9-5-7-14(17(15)19)12-16(18)13(2)3;1-4-18-16-8-6-5-7-14(16)15-11-13(12(2)3)9-10-17(15)18;1-6-11-18-16-12-14(17(7-2)8-3)9-10-15(16)13(4)5;1-11(2)12-9-10-15(16(3)4)14-8-6-5-7-13(12)14;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)12-10(14-4)6-9(13-3)7-11(12)15-5;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-8(2)10-6-7-12(14-10)11-5-4-9(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;2*1-6(2)7-4-3-5-8-7/h3-15H,1-2H3;3-17H,1-2H3;3-12H,1-2H3;12-13H,4-11H2,1-3H3;5-12H,4H2,1-3H3;9-10,12-13H,6-8,11H2,1-5H3;5-11H,1-4H3;3*4-10H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;5-9H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;3*5-8H,1-4H3;3-6,8H,1-2H3;3*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyIELSWAXYFXHELZ-UHFFFAOYSA-N
XLogP101.35
TPSA236.97 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds61
Heavy Atoms380
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005242.52
LogP ≤ 5101.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene?
The IUPAC name of 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene (CID 158675512) is 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene is CC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(N(C)C)c2ccccc12.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccco1.CC(C)c1cccs1.CCCOc1c(C(C)C)cc2c3c1CCCN3CCC2.CCCOc1cc(N(CC)CC)ccc1C(C)C.CCOC(=O)c1ccc(C(C)C)cc1.CCn1c2ccccc2c2cc(C(C)C)ccc21.COc1cc(OC)c(C(C)C)c(OC)c1.COc1ccc(C(C)C)c(OC)c1.COc1ccc(C(C)C)c2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1OC.COc1ccc(OC)c(C(C)C)c1.COc1ccc2cc(C(C)C)ccc2c1.COc1ccc2ccccc2c1C(C)C.COc1ccccc1C(C)C.CSc1ccc(C(C)C)cc1.Cc1ccc(-c2ccc(C(C)C)s2)s1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene?
The InChIKey is IELSWAXYFXHELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N.C21H21N.C19H16.C18H27NO.C17H19N.C16H27NO.C15H19N.3C14H16O.2C13H14.C12H18O3.C12H16O2.C12H14S2.C11H17N.3C11H16O2.C10H11N.2C10H14O.C10H14S.C10H14.C9H11Br.C7H10O.C7H10S/c1-15(2)16-11-13-17(14-12-16)22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22;1-17(2)18-13-15-21(16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;1-4-11-20-18-15-8-6-10-19-9-5-7-14(17(15)19)12-16(18)13(2)3;1-4-18-16-8-6-5-7-14(16)15-11-13(12(2)3)9-10-17(15)18;1-6-11-18-16-12-14(17(7-2)8-3)9-10-15(16)13(4)5;1-11(2)12-9-10-15(16(3)4)14-8-6-5-7-13(12)14;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11;1-10(2)11-8-9-14(15-3)13-7-5-4-6-12(11)13;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)12-10(14-4)6-9(13-3)7-11(12)15-5;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-8(2)10-6-7-12(14-10)11-5-4-9(3)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-7-9(12-3)5-6-11(10)13-4;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;2*1-6(2)7-4-3-5-8-7/h3-15H,1-2H3;3-17H,1-2H3;3-12H,1-2H3;12-13H,4-11H2,1-3H3;5-12H,4H2,1-3H3;9-10,12-13H,6-8,11H2,1-5H3;5-11H,1-4H3;3*4-10H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;5-9H,4H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3;3*5-8H,1-4H3;3-6,8H,1-2H3;3*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene?
1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene has a molecular weight of 5242.52 g/mol, XLogP of 101.35, 61 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-propan-2-ylbenzene;N,N-diethyl-4-propan-2-yl-3-propoxyaniline;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethoxy-1-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylnaphthalen-1-amine;N,N-diphenyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;9-ethyl-3-propan-2-ylcarbazole;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylnaphthalene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-6-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(5-propan-2-ylthiophen-2-yl)thiophene;1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzonitrile;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-(4-propan-2-ylphenyl)carbazole;7-propan-2-yl-6-propoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-propan-2-ylpyrene;2-propan-2-ylthiophene;1,3,5-trimethoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 158675512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).