lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone

C255H331F6LiN8O15S2 — CID 158714143

IUPAClithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)[O-])cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCOC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.CSc1ccc(C(C)C)cc1.CSc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.[Li+]
InChIInChI=1S/C15H16.C12H16O2.2C11H15NO.C11H17N.C11H14O2.C11H14O.2C10H13FO.C10H13NO.2C10H11N.C10H12O2.C10H14O.2C10H14S.2C10H14.C9H12FN.C9H11FO.2C9H11F.C9H13N.C9H12O.C9H12.Li/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-3-5-9(6-4-8)10(11)12;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;/h3-12H,1-2H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3,(H2,11,12);2*3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);3*4-8H,1-3H3;2*4-8H,1-3H3;3-6H,11H2,1-2H3;3-6,11H,1-2H3;2*3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyIJCFLVBBNCITOL-UHFFFAOYSA-M
MW3933.56 g/mol
LogP67.17
Rot. Bonds40

About lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone

lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone (PubChem CID 158714143) has the molecular formula C255H331F6LiN8O15S2 and a molecular weight of 3933.56 g/mol. Its IUPAC name is lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Namelithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone
PubChem CID158714143
Molecular FormulaC255H331F6LiN8O15S2
Molecular Weight3933.56 g/mol
Exact Mass3930.49
IUPAC Namelithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone
SMILESCC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)[O-])cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCOC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.CSc1ccc(C(C)C)cc1.CSc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.[Li+]
InChIInChI=1S/C15H16.C12H16O2.2C11H15NO.C11H17N.C11H14O2.C11H14O.2C10H13FO.C10H13NO.2C10H11N.C10H12O2.C10H14O.2C10H14S.2C10H14.C9H12FN.C9H11FO.2C9H11F.C9H13N.C9H12O.C9H12.Li/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-3-5-9(6-4-8)10(11)12;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;/h3-12H,1-2H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3,(H2,11,12);2*3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);3*4-8H,1-3H3;2*4-8H,1-3H3;3-6H,11H2,1-2H3;3-6,11H,1-2H3;2*3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyIJCFLVBBNCITOL-UHFFFAOYSA-M
XLogP67.17
TPSA382.10 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003933.56
LogP ≤ 567.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-4-tert-butylphenyl) acetate;3-tert-butylbenzoic acid;2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-(4-tert-butyl-2-hydroxyphenyl)propan-2-one;1-tert-butyl-3-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl) acetate;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;methyl 3-tert-butylbenzoate;methyl 4-tert-butylbenzoate
CID 157717011
CID 158386603
CID 158386603
amino 3-tert-butylbenzoate;amino 4-tert-butylbenzoate;1-but-3-enylsulfonyl-4-tert-butylbenzene;3-tert-butylaniline;4-tert-butylaniline;5-tert-butyl-2-fluoro-N-prop-2-enylbenzenesulfonamide;3-tert-butyl-N-methylaniline;4-tert-butyl-N-methylaniline;1-tert-butyl-3-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;3-tert-butyl-N-prop-2-enylbenzenesulfonamide;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 158415784
1-but-3-enylsulfonyl-4-tert-butylbenzene;3-tert-butylaniline;4-tert-butylaniline;3-tert-butylbenzamide;4-tert-butylbenzamide;5-tert-butyl-2-fluoro-N-prop-2-enylbenzenesulfonamide;3-tert-butyl-N-methylaniline;4-tert-butyl-N-methylaniline;1-tert-butyl-3-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;3-tert-butylphenol;3-tert-butyl-N-prop-2-enylbenzenesulfonamide;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 158798373
cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 160884316
lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol
CID 157513505
3-[Bis[4-(diethylamino)phenyl]methyl]phenol;1-[bis(4-methoxyphenyl)methyl]-3-fluorobenzene;3-[bis(4-methoxyphenyl)methyl]phenol;3-[bis(4-methylsulfanylphenyl)methyl]phenol;4-[[4-(dimethylamino)phenyl]-(4-methylphenyl)methyl]benzoic acid;methanamine
CID 157925357
2-tert-butylbenzamide;4-tert-butylbenzamide;tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-3-(methylsulfonylmethyl)benzene;N-(4-tert-butylphenyl)acetamide
CID 158140088
2-tert-butylbenzamide;3-tert-butylbenzamide;4-tert-butylbenzamide;tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-3-(methylsulfonylmethyl)benzene;N-(4-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)propan-2-one
CID 158903478
2-tert-butylbenzonitrile;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone
CID 159533705
cumene;ethyl 4-propan-2-ylbenzoate;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tetrakis(1-methyl-3-propan-2-ylbenzene);pentakis(1-methyl-4-propan-2-ylbenzene);methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone
CID 159645128
2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide
CID 159761585

Frequently Asked Questions

What is the IUPAC name of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone (CID 158714143) is lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone is CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)[O-])cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCOC(=O)c1ccc(C(C)C)cc1.CNC(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1F.CSc1ccc(C(C)C)cc1.CSc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.[Li+].
What is the InChIKey of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is IJCFLVBBNCITOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16.C12H16O2.2C11H15NO.C11H17N.C11H14O2.C11H14O.2C10H13FO.C10H13NO.2C10H11N.C10H12O2.C10H14O.2C10H14S.2C10H14.C9H12FN.C9H11FO.2C9H11F.C9H13N.C9H12O.C9H12.Li/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-4-14-12(13)11-7-5-10(6-8-11)9(2)3;1-8(2)9-4-6-10(7-5-9)11(13)12-3;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-5-9(11)10(6-8)12-3;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-3-5-9(6-4-8)10(11)12;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;/h3-12H,1-2H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3,(H2,11,12);2*3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);3*4-8H,1-3H3;2*4-8H,1-3H3;3-6H,11H2,1-2H3;3-6,11H,1-2H3;2*3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;/q;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1.
What are the key properties of lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone?
lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 3933.56 g/mol, XLogP of 67.17, 40 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cumene;N,N-dimethyl-4-propan-2-ylaniline;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylaniline;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzamide;4-propan-2-ylbenzoate;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 158714143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).