1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine

C251H353ClF5N13O4 — CID 159214239

IUPAC1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.C12H13N.C11H13FO2.C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N.7CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;3-9H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3;7*1H4
InChIKeyKQWFFJGSNBNBAM-UHFFFAOYSA-N
MW3747.11 g/mol
LogP75.50
Rot. Bonds31

About 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine

1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 159214239) has the molecular formula C251H353ClF5N13O4 and a molecular weight of 3747.11 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID159214239
Molecular FormulaC251H353ClF5N13O4
Molecular Weight3747.11 g/mol
Exact Mass3743.74
IUPAC Name1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.C12H13N.C11H13FO2.C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N.7CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;3-9H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3;7*1H4
InChIKeyKQWFFJGSNBNBAM-UHFFFAOYSA-N
XLogP75.50
TPSA156.24 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003747.11
LogP ≤ 575.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(3-propan-2-ylphenyl)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-[(6-propan-2-yl-2-pyridinyl)methyl]morpholine
CID 158277754
1-Butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-4-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 158635668
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159255576
3-[5-[[4-(1,3-Benzodioxol-4-ylmethyl)piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chloro-4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[6-[[4-[(3-chloro-4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 160355260
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 160430133
1-Chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)piperidine;1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160710487
4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-tert-butyl-3-methylidene-4H-chromene;5-tert-butylquinoxaline;2,2-dimethylpropane;isoquinoline;5-propan-2-ylisoquinoline
CID 161012294
3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-ethyl-4-methylphenyl)indol-1-yl]propan-1-amine;3-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propan-1-amine
CID 161323476
2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;4-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]quinoline;4-[2-(4-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-methylphenyl)-3-pyridinyl]quinoline;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline
CID 157811004
1-Chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-1-methyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
CID 158010168
5-Tert-butyl-1,3-benzodioxole;4-tert-butyl-2-chloro-1-fluorobenzene;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2,3-dichloropyridine;1-tert-butyl-2,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;5-tert-butyl-2,3-difluoropyridine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;bis(4-tert-butyl-2-fluoro-1-methylbenzene);3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;5-tert-butyl-2-fluoropyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butylquinoline;1-tert-butyl-2,4,5-trifluorobenzene;5-tert-butyl-1,2,3-trifluorobenzene;2-chloro-4-(2,2-dimethylpropyl)-1-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene
CID 158270586
2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole
CID 159236694

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine (CID 159214239) is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is KQWFFJGSNBNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.C12H13N.C11H13FO2.C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N.7CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;3-9H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3;7*1H4.
What are the key properties of 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine?
1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 3747.11 g/mol, XLogP of 75.50, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 159214239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).