N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C226H310F8N4O15 — CID 157272408

IUPACN,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)Oc1ccc(C(C)C)cc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)(C)C#N)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C=CN(C)C)c(F)c1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CCOc1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.CCc1ccc(C(C)C)cc1.CNC=Cc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1
InChIInChI=1S/C15H16O.C13H18FN.C13H17N.C12H16FN.C12H17NO.4C12H18O.3C11H16O.C11H16.C10H11F3O.C10H11F3.4C10H14O.C9H12O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)12-6-5-11(13(14)9-12)7-8-15(3)4;1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-9(2)11-5-4-10(6-7-14-3)12(13)8-11;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-3-5-9(10)7-11;1-7(2)8-5-3-4-6-9(8)10/h3-12H,1-2H3;5-10H,1-4H3;5-8,10H,1-4H3;4-9,14H,1-3H3;5-9H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;4-9,12H,1-3H3;2*5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3*3-6,8,11H,7H2,1-2H3;3-7,10H,1-2H3
InChIKeyAYRRKSPLFPUXFG-UHFFFAOYSA-N
MW3474.96 g/mol
LogP63.05
Rot. Bonds45

About N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 157272408) has the molecular formula C226H310F8N4O15 and a molecular weight of 3474.96 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID157272408
Molecular FormulaC226H310F8N4O15
Molecular Weight3474.96 g/mol
Exact Mass3472.35
IUPAC NameN,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)Oc1ccc(C(C)C)cc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)(C)C#N)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C=CN(C)C)c(F)c1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CCOc1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.CCc1ccc(C(C)C)cc1.CNC=Cc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1
InChIInChI=1S/C15H16O.C13H18FN.C13H17N.C12H16FN.C12H17NO.4C12H18O.3C11H16O.C11H16.C10H11F3O.C10H11F3.4C10H14O.C9H12O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)12-6-5-11(13(14)9-12)7-8-15(3)4;1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-9(2)11-5-4-10(6-7-14-3)12(13)8-11;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-3-5-9(10)7-11;1-7(2)8-5-3-4-6-9(8)10/h3-12H,1-2H3;5-10H,1-4H3;5-8,10H,1-4H3;4-9,14H,1-3H3;5-9H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;4-9,12H,1-3H3;2*5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3*3-6,8,11H,7H2,1-2H3;3-7,10H,1-2H3
InChIKeyAYRRKSPLFPUXFG-UHFFFAOYSA-N
XLogP63.05
TPSA265.59 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds45
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003474.96
LogP ≤ 563.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-ethoxy-4-propan-2-ylbenzene;methane;pentakis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;bis(1-propan-2-yl-4-prop-1-enylbenzene);1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157497523
4-chloro-2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;1-chloro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methylpropylbenzene;(4-propan-2-ylphenyl) acetate;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158345902
2-chloro-N,N-dimethylbenzamide;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-2-methylbenzene;1-chloro-4-propan-2-yloxybenzene;1,3-dichlorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;2-fluoro-1,4-dimethylbenzene;4-fluoro-N-methylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;(4-fluorophenyl)methanol;1-fluoro-3-propoxybenzene;1-fluoro-4-propylbenzene;1-fluoro-3-(trifluoromethoxy)benzene;N-methylbenzamide
CID 159631691
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
anisole;butylbenzene;tert-butylbenzene;1-tert-butyl-4-methoxybenzene;cumene;1,4-dimethoxybenzene;1,3-dimethoxy-5-methylbenzene;ethoxybenzene;1-ethoxy-2-methylbenzene;1-ethoxy-3-methylbenzene;ethylbenzene;1-ethyl-2-methoxybenzene;1-ethyl-3-methoxybenzene;1-ethyl-3-propan-2-yloxybenzene;2-methoxy-1,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-propan-2-ylbenzene;propan-2-yloxybenzene;toluene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157256338
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
6-(4-ethoxyphenyl)-6-methyl-3-(3-phenoxyphenyl)hept-4-ynoic acid
CID 70476258
anisole;butylbenzene;tert-butylbenzene;1-tert-butyl-4-methoxybenzene;cumene;1,2-dimethoxybenzene;1,3-dimethoxybenzene;ethoxybenzene;1-ethoxy-2-methylbenzene;1-ethoxy-3-methylbenzene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-3-methoxy-5-methylbenzene;2-methoxy-1,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-yloxybenzene;propan-2-yloxybenzene;toluene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158007331
tert-butylbenzene;1-tert-butyl-4-isocyanobenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;methyl 4-tert-butylbenzoate;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzamide;4-propan-2-ylbenzoic acid;(4-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)propan-1-one
CID 159399983
4-chloro-2-(3-methoxyphenyl)-1-propan-2-ylbenzene;4-chloro-2-(4-methoxyphenyl)-1-propan-2-ylbenzene;1-fluoro-3-(4-propan-2-ylphenyl)benzene;[4-(5-fluoro-2-propan-2-ylphenyl)phenyl]methanol;1-methoxy-3-(3-propan-2-ylphenyl)benzene;1-methoxy-3-(4-propan-2-ylphenyl)benzene;1-phenyl-4-propan-2-ylbenzene;4-(4-propan-2-ylphenyl)phenol;1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)phenyl]benzene
CID 159434818

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 157272408) is N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)Oc1ccc(C(C)C)cc1.CC(C)Oc1cccc(C(C)C)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)(C)C#N)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C=CN(C)C)c(F)c1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(CO)c1.CC(C)c1ccccc1CO.CC(C)c1ccccc1O.CCOc1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.CCc1ccc(C(C)C)cc1.CNC=Cc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is AYRRKSPLFPUXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C13H18FN.C13H17N.C12H16FN.C12H17NO.4C12H18O.3C11H16O.C11H16.C10H11F3O.C10H11F3.4C10H14O.C9H12O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)12-6-5-11(13(14)9-12)7-8-15(3)4;1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-9(2)11-5-4-10(6-7-14-3)12(13)8-11;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-12-11-7-5-6-10(8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-3-5-9(10)7-11;1-7(2)8-5-3-4-6-9(8)10/h3-12H,1-2H3;5-10H,1-4H3;5-8,10H,1-4H3;4-9,14H,1-3H3;5-9H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;4-9,12H,1-3H3;2*5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;3*3-6,8,11H,7H2,1-2H3;3-7,10H,1-2H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3474.96 g/mol, XLogP of 63.05, 45 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157272408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).