tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane

C273H416Cl4F9N13O5S — CID 159579590

IUPACtert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)C(C)(C)C.CC1CCN(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C(C)(C)C)cc1OC.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15NS.C12H18O2.C12H18O.3C11H15Cl.2C11H15F.C11H16O.2C11H16.C10H13Cl.C10H12F3N.C10H12F2.C10H13F.C10H21N.C10H15N.C10H21N.C10H14.C9H12FN.2C9H13N.C9H19N.C9H13N.C8H18N2.C8H17NO.C7H16/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-8-7-9(12)5-6-10(8)11(2,3)4;4*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)8-4-6-9(11)7-5-8;1-9-5-7-11(8-6-9)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-6(2)7(3,4)5/h4-9H,1-3H3;6-8H,1-5H3;6-8H,1-5H3;5*5-7H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;9H,5-8H2,1-4H3;5-7H,1-4H3;9,11H,4-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;6H,1-5H3
InChIKeyMIVNTUMRUVYEHG-UHFFFAOYSA-N
MW4305.28 g/mol
LogP79.43
Rot. Bonds6

About tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane

tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane (PubChem CID 159579590) has the molecular formula C273H416Cl4F9N13O5S and a molecular weight of 4305.28 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
PubChem CID159579590
Molecular FormulaC273H416Cl4F9N13O5S
Molecular Weight4305.28 g/mol
Exact Mass4300.10
IUPAC Nametert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)C(C)(C)C.CC1CCN(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C(C)(C)C)cc1OC.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15NS.C12H18O2.C12H18O.3C11H15Cl.2C11H15F.C11H16O.2C11H16.C10H13Cl.C10H12F3N.C10H12F2.C10H13F.C10H21N.C10H15N.C10H21N.C10H14.C9H12FN.2C9H13N.C9H19N.C9H13N.C8H18N2.C8H17NO.C7H16/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-8-7-9(12)5-6-10(8)11(2,3)4;4*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)8-4-6-9(11)7-5-8;1-9-5-7-11(8-6-9)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-6(2)7(3,4)5/h4-9H,1-3H3;6-8H,1-5H3;6-8H,1-5H3;5*5-7H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;9H,5-8H2,1-4H3;5-7H,1-4H3;9,11H,4-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;6H,1-5H3
InChIKeyMIVNTUMRUVYEHG-UHFFFAOYSA-N
XLogP79.43
TPSA173.40 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004305.28
LogP ≤ 579.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane with MolForge

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Launch Full Analysis

Related Compounds

Tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-fluorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 157698660
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-fluorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;N-tert-butylcyclohexanamine;1-tert-butyl-2,4-dichlorobenzene;4-tert-butyl-1,2-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 159325974
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-4-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 160385864
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 160580041
Bis(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;2-tert-butyl-4-phenyl-1,3-thiazole;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 160654960
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;N,N,2-trimethylpropan-2-amine
CID 160991515
tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine
CID 161327582
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;N-tert-butylcyclohexanamine;4-tert-butyl-1,2-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methoxybenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);3-tert-butyl-5-fluoropyridine;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane;N,N,2-trimethylpropan-2-amine
CID 161423556
1-Chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;1-(2,2-difluoroethyl)-3-methylbenzene;1-(difluoromethoxy)-4-methylbenzene;2,4-dimethylpyridine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyridine;methylcyclohexane;2-methylpyridine;2-methyl-1,3-thiazole;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
CID 163699633
2-Chloro-4-methyl-1-propan-2-ylbenzene;cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;bis(1,3-dimethyl-2-propan-2-ylbenzene);1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-3-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);4-methyl-2-propan-2-ylthiophene;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;bis(2,4,6-trimethyl-3-propan-2-ylpyridine)
CID 161790734

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane?
The IUPAC name of tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane (CID 159579590) is tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)c1cc(F)ccn1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)C(C)(C)C.CC1CCN(C(C)(C)C)CC1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C(C)(C)C)cc1OC.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane?
The InChIKey is MIVNTUMRUVYEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C12H18O2.C12H18O.3C11H15Cl.2C11H15F.C11H16O.2C11H16.C10H13Cl.C10H12F3N.C10H12F2.C10H13F.C10H21N.C10H15N.C10H21N.C10H14.C9H12FN.2C9H13N.C9H19N.C9H13N.C8H18N2.C8H17NO.C7H16/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-8-7-9(12)5-6-10(8)11(2,3)4;4*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)8-4-6-9(11)7-5-8;1-9-5-7-11(8-6-9)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-6(2)7(3,4)5/h4-9H,1-3H3;6-8H,1-5H3;6-8H,1-5H3;5*5-7H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;9H,5-8H2,1-4H3;5-7H,1-4H3;9,11H,4-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;6H,1-5H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane?
tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane has a molecular weight of 4305.28 g/mol, XLogP of 79.43, 6 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;1-tert-butyl-4-fluorobenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);2-tert-butyl-4-fluoropyridine;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methoxy-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylpiperidine;5-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;2-tert-butyl-4-phenyl-1,3-thiazole;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,2,3-trimethylbutane is sourced from PubChem (CID 159579590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).