4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine

C174H211ClF34N10O10S2 — CID 162049791

IUPAC4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCOc1c(C)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1cc(C)cc(C(F)(F)F)c1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C)cc1C(F)(F)F.Cc1cc(CCCN(C)C)cc(C(F)(F)F)c1.Cc1cc(CN2CCCC2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)C)cc(C(F)(F)F)c1.Cc1ccc(C#N)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(F)c(C(F)(F)F)c1.Cc1ccc(N(C)CCN(C)C)c(C(F)(F)F)c1.Cc1cccc(C(C)(C)C#N)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(N(C)C)c1.Cc1cccc(NS(C)(=O)=O)c1.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2.C13H16F3N.C13H18F3N.C13H21NO3S.C12H16F3NO.C12H18O.C11H13N.C11H16.C9H6F3N.2C9H9F3O.C9H13N.C8H6ClF3.C8H6F4.C8H7F3O.C8H7F3.C8H11NO2S/c1-10-5-6-12(11(9-10)13(14,15)16)18(4)8-7-17(2)3;1-10-6-11(9-17-4-2-3-5-17)8-12(7-10)13(14,15)16;1-10-7-11(5-4-6-17(2)3)9-12(8-10)13(14,15)16;1-9-7-10(13(2,3)4)8-11(12(9)17-5)14-18(6,15)16;1-9-6-10(12(13,14)15)8-11(7-9)17-5-4-16(2)3;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9-5-4-6-10(7-9)11(2,3)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-6-2-3-7(5-13)8(4-6)9(10,11)12;1-6-3-7(9(10,11)12)5-8(4-6)13-2;1-6-3-4-8(13-2)7(5-6)9(10,11)12;1-8-5-4-6-9(7-8)10(2)3;2*1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h5-6,9H,7-8H2,1-4H3;6-8H,2-5,9H2,1H3;7-9H,4-6H2,1-3H3;7-8,14H,1-6H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;5-8H,1-4H3;2-4H,1H3;2*3-5H,1-2H3;4-7H,1-3H3;2*2-4H,1H3;2-5H,1H3;2-5H,1H3;3-6,9H,1-2H3
InChIKeyYYJXSPPESQQUDW-UHFFFAOYSA-N
MW3348.18 g/mol
LogP50.23
Rot. Bonds25

About 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine

4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 162049791) has the molecular formula C174H211ClF34N10O10S2 and a molecular weight of 3348.18 g/mol. Its IUPAC name is 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID162049791
Molecular FormulaC174H211ClF34N10O10S2
Molecular Weight3348.18 g/mol
Exact Mass3345.49
IUPAC Name4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCOc1c(C)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1cc(C)cc(C(F)(F)F)c1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C)cc1C(F)(F)F.Cc1cc(CCCN(C)C)cc(C(F)(F)F)c1.Cc1cc(CN2CCCC2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)C)cc(C(F)(F)F)c1.Cc1ccc(C#N)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(F)c(C(F)(F)F)c1.Cc1ccc(N(C)CCN(C)C)c(C(F)(F)F)c1.Cc1cccc(C(C)(C)C#N)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(N(C)C)c1.Cc1cccc(NS(C)(=O)=O)c1.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2.C13H16F3N.C13H18F3N.C13H21NO3S.C12H16F3NO.C12H18O.C11H13N.C11H16.C9H6F3N.2C9H9F3O.C9H13N.C8H6ClF3.C8H6F4.C8H7F3O.C8H7F3.C8H11NO2S/c1-10-5-6-12(11(9-10)13(14,15)16)18(4)8-7-17(2)3;1-10-6-11(9-17-4-2-3-5-17)8-12(7-10)13(14,15)16;1-10-7-11(5-4-6-17(2)3)9-12(8-10)13(14,15)16;1-9-7-10(13(2,3)4)8-11(12(9)17-5)14-18(6,15)16;1-9-6-10(12(13,14)15)8-11(7-9)17-5-4-16(2)3;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9-5-4-6-10(7-9)11(2,3)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-6-2-3-7(5-13)8(4-6)9(10,11)12;1-6-3-7(9(10,11)12)5-8(4-6)13-2;1-6-3-4-8(13-2)7(5-6)9(10,11)12;1-8-5-4-6-9(7-8)10(2)3;2*1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h5-6,9H,7-8H2,1-4H3;6-8H,2-5,9H2,1H3;7-9H,4-6H2,1-3H3;7-8,14H,1-6H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;5-8H,1-4H3;2-4H,1H3;2*3-5H,1-2H3;4-7H,1-3H3;2*2-4H,1H3;2-5H,1H3;2-5H,1H3;3-6,9H,1-2H3
InChIKeyYYJXSPPESQQUDW-UHFFFAOYSA-N
XLogP50.23
TPSA214.74 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003348.18
LogP ≤ 550.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine with MolForge

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Related Compounds

4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-3-methylbenzene;2-chloro-5-methyl-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline;1-chloro-4-methyl-2-(trifluoromethyl)benzene;1-[2-chloro-5-methyl-3-(trifluoromethyl)phenyl]-4-ethylpiperazine;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 158018266

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 162049791) is 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine is COc1c(C)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1cc(C)cc(C(F)(F)F)c1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C)cc1C(F)(F)F.Cc1cc(CCCN(C)C)cc(C(F)(F)F)c1.Cc1cc(CN2CCCC2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)C)cc(C(F)(F)F)c1.Cc1ccc(C#N)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(F)c(C(F)(F)F)c1.Cc1ccc(N(C)CCN(C)C)c(C(F)(F)F)c1.Cc1cccc(C(C)(C)C#N)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(N(C)C)c1.Cc1cccc(NS(C)(=O)=O)c1.Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is YYJXSPPESQQUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2.C13H16F3N.C13H18F3N.C13H21NO3S.C12H16F3NO.C12H18O.C11H13N.C11H16.C9H6F3N.2C9H9F3O.C9H13N.C8H6ClF3.C8H6F4.C8H7F3O.C8H7F3.C8H11NO2S/c1-10-5-6-12(11(9-10)13(14,15)16)18(4)8-7-17(2)3;1-10-6-11(9-17-4-2-3-5-17)8-12(7-10)13(14,15)16;1-10-7-11(5-4-6-17(2)3)9-12(8-10)13(14,15)16;1-9-7-10(13(2,3)4)8-11(12(9)17-5)14-18(6,15)16;1-9-6-10(12(13,14)15)8-11(7-9)17-5-4-16(2)3;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-9-5-4-6-10(7-9)11(2,3)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-6-2-3-7(5-13)8(4-6)9(10,11)12;1-6-3-7(9(10,11)12)5-8(4-6)13-2;1-6-3-4-8(13-2)7(5-6)9(10,11)12;1-8-5-4-6-9(7-8)10(2)3;2*1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h5-6,9H,7-8H2,1-4H3;6-8H,2-5,9H2,1H3;7-9H,4-6H2,1-3H3;7-8,14H,1-6H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;5-8H,1-4H3;2-4H,1H3;2*3-5H,1-2H3;4-7H,1-3H3;2*2-4H,1H3;2-5H,1H3;2-5H,1H3;3-6,9H,1-2H3.
What are the key properties of 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 3348.18 g/mol, XLogP of 50.23, 25 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methoxy-2-methylbenzene;N-(5-tert-butyl-2-methoxy-3-methylphenyl)methanesulfonamide;1-tert-butyl-3-methylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenoxy]ethanamine;N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine;1-fluoro-4-methyl-2-(trifluoromethyl)benzene;1-methoxy-3-methyl-5-(trifluoromethyl)benzene;1-methoxy-4-methyl-2-(trifluoromethyl)benzene;2-methyl-2-(3-methylphenyl)propanenitrile;N-(3-methylphenyl)methanesulfonamide;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-methyl-2-(trifluoromethyl)benzonitrile;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine;N,N,3-trimethylaniline;N,N,N'-trimethyl-N'-[4-methyl-2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 162049791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).